SCHEMBL2859768

SCHEMBL2859768

NS(=O)(=O)c1ccc(NC(=O)N(Cc2ccncc2)c2ccc3nc(S)sc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NAMPT P43490 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
EPHX2 P34913 11/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MGLL Q99685 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2864054 0.90 MAPT (0.44) NAMPTEPHX2MAPT
SCHEMBL2863564 0.86 EPHX2 (0.42) NAMPTEPHX2NPC1RAB9AMAPT
SCHEMBL2867706 0.85 EPHX2 (0.42) MEN1KMT2ANAMPTEPHX2NPC1
SCHEMBL2860311 0.85 EPHX2 (0.41) NAMPTEPHX2MAPT
SCHEMBL2868498 0.84 CA2 (0.43) CA1CA2CA7MEN1KMT2A
SCHEMBL2869845 0.84 EPHX2 (0.42) MEN1KMT2AEPHX2MAPTALDH1A1
SCHEMBL2861770 0.84 EPHX2 (0.46) CA1CA2MEN1KMT2ACA12
SCHEMBL2863674 0.82 EPHX2 (0.47) CA1CA2MEN1KMT2ACA12
SCHEMBL2866104 0.81 EPHX2 (0.40) MEN1KMT2ANAMPTEPHX2NPC1
SCHEMBL2862795 0.80 HSD17B10 (0.41) EPHX2MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 CA1 834/4885CA2 297/4885CA5A 38/4885

“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.