SCHEMBL1763263

SCHEMBL1763263

CNCc1cc(-c2cccnc2)n(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
MET P08581 1/20 0.42
NAMPT P43490 1/20 0.41
VNN1 O95497 1/20 0.40
PTGS2 P35354 7/20 0.39
PTGS1 P23219 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
LOX P28300 1/20 0.37
HTR6 P50406 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36

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
Hydrochloric Acid SCHEMBL1156991 0.99 EPHX2 (0.46) EPHX2PRMT6METNAMPTVNN1
SCHEMBL1580582 0.89 EPHX2 (0.48) EPHX2PRMT6NAMPTCYP2E1CYP3A4
Hydrochloric Acid SCHEMBL1157004 0.88 EPHX2 (0.47) EPHX2PRMT6NAMPTCYP2E1CYP3A4
SCHEMBL1156580 0.87 ALDH1A1 (0.40) METPTGS2KCNH2HTR6
SCHEMBL1562129 0.86 PTGS2 (0.42) EPHX2PRMT6NAMPTVNN1PTGS2
Hydrochloric Acid SCHEMBL1156579 0.86 ALDH1A1 (0.39) METPTGS2KCNH2CYP3A4HTR6
Hydrochloric Acid SCHEMBL1278316 0.85 PTGS2 (0.41) EPHX2PRMT6NAMPTVNN1PTGS2
SCHEMBL1156534 0.85 EPHX2 (0.45) EPHX2PRMT6NAMPTCYP2E1CYP3A4
Hydrochloric Acid SCHEMBL1156623 0.84 EPHX2 (0.44) EPHX2PRMT6NAMPTCYP2E1CYP3A4
SCHEMBL1580542 0.83 EPHX2 (0.44) EPHX2PRMT6NAMPTHTR6

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-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 EPHX2 3180/4885PRMT6 4087/4885MET 1980/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 EPHX2 3180/4885PRMT6 4087/4885MET 1980/4885

“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.