SCHEMBL2867200

SCHEMBL2867200

O=C(O)CCCCN(C(=O)Oc1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 6/20 0.42
ITK Q08881 1/20 0.37
PTGDR2 Q9Y5Y4 6/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE2A O00408 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL2866243 0.89 PDE3B (0.39) TMPRSS15ITKPTGDR2CYP2C8CYP2C9
SCHEMBL3405763 0.85 TMPRSS15 (0.37) TMPRSS15ITKCYP2C9CYP2C19PPARG
SCHEMBL2855036 0.85 EPHX2 (0.42) HSD17B10
SCHEMBL2866034 0.85 MCL1 (0.44) ITKPTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2856702 0.84 PTGDR2 (0.41) ITKPTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2864220 0.83 PPARD (0.40) TMPRSS15PPARGPPARDPPARA
SCHEMBL2860633 0.82 TMPRSS15 (0.38) TMPRSS15PPARD
SCHEMBL2857711 0.81 TMPRSS15 (0.38) TMPRSS15ITKPPARD
SCHEMBL2868103 0.81 PPARA (0.40) TMPRSS15PPARGPPARDPPARA
SCHEMBL2866937 0.81 TMPRSS15 (0.36) TMPRSS15PTGDR2PPARDPDE2APDE3B

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 TMPRSS15 959/4885ITK 2481/4885PTGDR2 3501/4885

“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.