SCHEMBL3403697

SCHEMBL3403697

O=C(O)CCCCN(C(=O)Oc1ccc(-c2cc(O)no2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 2/20 0.32
PDE2A O00408 2/20 0.30
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30
CDH1 P12830 1/20 0.30
CTNNB1 P35222 1/20 0.30
TCF7L2 Q9NQB0 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL3402021 0.87 MEN1 (0.31) PTGDR2
SCHEMBL3404353 0.86 TP53 (0.36)
SCHEMBL2866937 0.86 TMPRSS15 (0.36) TMPRSS15PDE2APDE3BPDE3ACDH1
SCHEMBL3408842 0.85 HDAC3 (0.33)
SCHEMBL3406728 0.85 PDE3B (0.35) PDE3BPDE3AP2RY12
SCHEMBL3404268 0.84 HPGD (0.34)
SCHEMBL3407795 0.83 PPARD (0.35) TMPRSS15PDE2APDE3BPDE3A
SCHEMBL3403090 0.82 TMPRSS15 (0.33) TMPRSS15
SCHEMBL3405819 0.82 MAPT (0.34) CDH1CTNNB1TCF7L2
SCHEMBL3405767 0.81 PPARG (0.37) TMPRSS15

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 959/4885PDE2A 2556/4885PDE3B 1953/4885

“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.