SCHEMBL10145599

SCHEMBL10145599

CC(NC(=O)NNS(=O)(=O)c1ccc(O)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 2/20 0.61
RECQL P46063 2/20 0.61
TP53 P04637 1/20 0.61
THRB P10828 1/20 0.61
PLEC Q15149 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
PKM P14618 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 1/20 0.44
UQCRB P14927 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL10122132 0.90 LMNA (0.58) GAAMAPTKDM4ERECQLTP53
SCHEMBL10122149 0.90 GAA (0.53) GAAMAPTKDM4ERECQLTP53
SCHEMBL10122131 0.89 MEN1 (0.54) GAAMAPTKDM4ERECQLTP53
SCHEMBL10122101 0.89 RORA (0.52) GAAMAPTKDM4ERECQLTP53
SCHEMBL10122168 0.89 KDM4E (0.50) GAAMAPTKDM4ERECQLTP53
SCHEMBL10122183 0.88 BCAT1 (0.55) GAAMAPTKDM4ERECQLTP53
SCHEMBL10122205 0.87 GAA (0.57) GAAMAPTKDM4ERECQLTP53
SCHEMBL15489067 0.86 GAA (0.46) GAAMAPTKDM4ERECQLTP53
SCHEMBL10122194 0.86 IDO1 (0.46) GAAMAPTKDM4ERECQLTP53
SCHEMBL10122097 0.86 KAT6A (0.47) GAAMAPTKDM4ERECQLTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 GAA 32/4885MAPT 354/4885KDM4E 1039/4885
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 GAA 42/4885MAPT 502/4885KDM4E 1027/4885
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 GAA 40/4885MAPT 949/4885KDM4E 1778/4885

“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.