SCHEMBL1908160

SCHEMBL1908160

CCC(NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
CYP2C19 P33261 3/20 0.53
CYP2C9 P11712 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
MAPT P10636 4/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALPL P05186 1/20 0.45
PKM P14618 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
CYP1A2 P05177 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1894364 0.81 CYP2C9 (0.51) CYP3A4CYP2C19CYP2C9HDAC3HDAC2
SCHEMBL1889413 0.80 LMNA (0.55) CYP3A4CYP2C19CYP2C9MAPTGAA
SCHEMBL1896307 0.80 MAPT (0.48) CYP3A4CYP2C19CYP2C9MAPTGAA
SCHEMBL1896475 0.79 ALDH1A1 (0.54) CYP3A4CYP2C19CYP2C9MAPTGAA
SCHEMBL1890095 0.78 POLB (0.51) HDAC3HDAC2MAPTGAAALDH1A1
SCHEMBL2283658 0.78 ALDH1A1 (0.52) MAPTGAAALDH1A1HPGDPOLB
SCHEMBL12682342 0.78 MAPT (0.71) CYP3A4CYP2C19CYP2C9HDAC3HDAC2
SCHEMBL13993510 0.78 GAA (0.51) CYP3A4CYP2C19CYP2C9HDAC3HDAC2
SCHEMBL418841 0.71 GAA (0.57) CYP3A4CYP2C19CYP2C9MAPTGAA
SCHEMBL19431210 0.71 MAPT (0.65) CYP3A4CYP2C19CYP2C9HDAC3HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664274-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-03-04 US disclosed
US-8664274-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-03-04 US disclosed
US-8664274-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-03-04 US disclosed
US-8658697-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2014-02-25 US disclosed
US-8658697-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2014-02-25 US disclosed
US-8658697-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2014-02-25 US disclosed
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SIGA TECHNOLOGIES INC. (US) 2013-10-03 US disclosed
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SIGA TECHNOLOGIES INC. (US) 2013-10-03 US disclosed
US-7994221-B2 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2011-08-09 US disclosed
US-7994221-B2 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2011-08-09 US disclosed
US-7994221-B2 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2011-08-09 US disclosed
US-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES INC. (US) 2011-05-19 US disclosed
US-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES INC. (US) 2011-05-19 US disclosed
US-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES INC. (US) 2011-05-19 US disclosed
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. 2010-10-07 US disclosed
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. 2010-10-07 US disclosed
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. 2010-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SORD, GBA1, GK CYP3A4 3280/4885CYP2C19 4458/4885CYP2C9 3937/4885
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses GBA1, SORD, GK CYP3A4 3421/4885CYP2C19 4384/4885CYP2C9 3775/4885
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SORD, GBA1, GK CYP3A4 3339/4885CYP2C19 4479/4885CYP2C9 4005/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.