SCHEMBL7044853

SCHEMBL7044853

O=C(O)C(=O)c1cc(Br)c(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.44
GSK3B P49841 3/20 0.39
GPR35 Q9HC97 2/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
FBP1 P09467 1/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
STING1 Q86WV6 1/20 0.31

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
SCHEMBL1529502 0.83 DAO (0.63) DAOGSK3BGPR35MEN1KMT2A
SCHEMBL9777845 0.79 DAO (0.42) DAOGSK3BGPR35CES2CES1
SCHEMBL7040416 0.79 DAO (0.69) DAOGSK3BGPR35MEN1KMT2A
SCHEMBL7043189 0.79 GSK3B (0.57) DAOGSK3BCES2CES1MEN1
SCHEMBL20486947 0.78 DAO (0.42) DAOGSK3BUSP2
SCHEMBL7043473 0.76 DAO (0.44) DAOGSK3BGPR35CES2CES1
SCHEMBL4382710 0.74 GSK3B (0.70) DAOGSK3BSTING1
SCHEMBL3900686 0.74 GSK3B (0.67) DAOGSK3BUSP2MEN1KMT2A
SCHEMBL1529851 0.73 DAO (0.43) DAOGSK3BMEN1KMT2A
SCHEMBL1177426 0.68

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 DAO 3738/4885GSK3B 3398/4885GPR35 43/4885

“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.