SCHEMBL7044916

SCHEMBL7044916

O=C(O)C(=O)c1scc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.36
DAO P14920 1/20 0.33
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31
MCL1 Q07820 1/20 0.31
GSK3B P49841 1/20 0.31
DPP4 P27487 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
SCHEMBL787848 0.82 GPR35 (0.47) GPR35DAOKMT2AMAPK1MCL1
SCHEMBL11602617 0.76 RAB9A (0.36) GPR35KMT2AGSK3B
SCHEMBL7369450 0.76 GSK3B (0.39) GPR35DAOKMT2AMAPK1GSK3B
SCHEMBL11603489 0.72 GSK3B (0.55) MAPK1GSK3B
SCHEMBL7039136 0.72 GPR35 (0.40) GPR35KMT2AMAPK1
SCHEMBL11617019 0.71 GSK3B (0.55) GPR35KMT2AGSK3B
SCHEMBL5215746 0.70 MAPT (0.49) KMT2AMAPK1GSK3B
SCHEMBL7041123 0.67 GSK3B (0.55) GPR35DAOGSK3B
SCHEMBL31078546 0.67 DPP4 (0.45) GPR35DAOKMT2AMAPK1MCL1
SCHEMBL18701734 0.65 DAO (0.42) GPR35DAOKMT2AMAPK1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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 (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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 GPR35 43/4885DAO 3738/4885KMT2A 981/4885

“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.