SCHEMBL419880

SCHEMBL419880

CCC(NC(=O)NNS(=O)(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 1/20 0.44
CYP2C9 P11712 4/20 0.43
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL418841 0.84 GAA (0.57) CYP2C9GAAKMT2ASMN1; SMN2CYP3A4
SCHEMBL1896397 0.80 ALDH1A1 (0.62) ALDH1A1RAB9ACYP2C9CYP1A2KDM4E
SCHEMBL416488 0.77 L3MBTL1 (0.50) RAB9ACYP2C9GAAKMT2ASMN1; SMN2
SCHEMBL419238 0.77 SMN1; SMN2 (0.52) ALDH1A1CYP2C9GAASMN1; SMN2CYP3A4
SCHEMBL13485842 0.75 KDM4E (0.57) ALDH1A1RAB9ACYP2C9CYP1A2KDM4E
SCHEMBL420088 0.72 CYP1A2 (0.50) ALDH1A1RAB9ACYP2C9CYP1A2KDM4E
SCHEMBL418726 0.72 MAPT (0.46) ALDH1A1RAB9ACYP2C9GAAMEN1
SCHEMBL416576 0.72 MAPT (0.46) ALDH1A1CYP2C9CYP1A2GAAMEN1
SCHEMBL421293 0.71 MAPT (0.46) ALDH1A1CYP2C9GAAPOLBSMN1; SMN2
SCHEMBL10122120 0.70 GAA (0.55) ALDH1A1GAAMEN1KMT2ASMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115065-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with Arenaviruses Kineta, Inc. (US) 2015-08-25 US claimed
US-20140378681-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) 2014-12-25 US claimed
US-8410149-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) 2013-04-02 US claimed
WO-2012060820-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) 2012-05-10 WO claimed
US-20120022027-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) 2012-01-26 US claimed
US-9115065-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with Arenaviruses Kineta, Inc. (US) 2015-08-25 US disclosed
US-9115065-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with Arenaviruses Kineta, Inc. (US) 2015-08-25 US disclosed
US-9115065-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with Arenaviruses Kineta, Inc. (US) 2015-08-25 US disclosed
US-20140378681-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) 2014-12-25 US disclosed
US-20140378681-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) 2014-12-25 US disclosed
US-20140378681-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) 2014-12-25 US disclosed
US-8410149-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) 2013-04-02 US disclosed
US-8410149-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) 2013-04-02 US disclosed
US-8410149-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) 2013-04-02 US disclosed
WO-2012060820-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) 2012-05-10 WO disclosed
US-20120022027-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) 2012-01-26 US disclosed
US-20120022027-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) 2012-01-26 US disclosed
US-20120022027-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) 2012-01-26 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 (2 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-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK ALDH1A1 1761/4885RAB9A 3587/4885CYP2C9 3876/4885
US-20120022027-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK ALDH1A1 1761/4885RAB9A 3587/4885CYP2C9 3876/4885

“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.