SCHEMBL3405763

SCHEMBL3405763

O=C(O)CCCCN(C(=O)Oc1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 3/20 0.37
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM2 Q14416 2/20 0.33
LTA4H P09960 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
ITK Q08881 1/20 0.32
XDH P47989 4/20 0.32
PDE2A O00408 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
P2RY12 Q9H244 1/20 0.32
GPR35 Q9HC97 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3406289 0.89 PDE3B (0.37) CYP19A1CYP2C9CYP2C19GRM2LMNA
SCHEMBL3403628 0.88 XDH (0.35) TMPRSS15PPARGPPARDPPARALMNA
SCHEMBL3407983 0.86 TP53 (0.40) CYP19A1CYP2C9CYP2C19GRM2LMNA
SCHEMBL2867200 0.85 TMPRSS15 (0.42) TMPRSS15PPARGPPARDPPARACYP2C9
SCHEMBL3406379 0.85 HSD17B10 (0.37) LTA4HXDHGPR35
SCHEMBL3409617 0.84 MCL1 (0.41) CYP19A1CYP2C9CYP2C19GRM2LMNA
SCHEMBL3407795 0.83 PPARD (0.35) TMPRSS15PPARDLTA4HALDH1A1TP53
SCHEMBL3403090 0.82 TMPRSS15 (0.33) TMPRSS15CYP2C9CYP2C19ALDH1A1
SCHEMBL3410280 0.82 XDH (0.39) CYP19A1CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL3405767 0.81 PPARG (0.37) TMPRSS15PPARGPPARDPPARAALDH1A1

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP 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 TMPRSS15 959/4885PPARG 1125/4885PPARD 1235/4885

“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.