SCHEMBL7039136

SCHEMBL7039136

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.40
GAA P10253 2/20 0.37
ABCB1 P08183 1/20 0.37
PRKCZ Q05513 1/20 0.37
KAT2B Q92831 1/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM6 O15303 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7043180 0.77 ALDH1A1 (0.46) GPR35GAACASP1ALDH1A1TDP1
SCHEMBL7041671 0.75 GSK3B (0.49) GPR35GAAALDH1A1PKMMEN1
SCHEMBL7042370 0.72 GPR35 (0.38) GPR35GAAALDH1A1TDP1SMN1; SMN2
SCHEMBL7044916 0.72 GPR35 (0.36) GPR35KMT2AMAPK1
SCHEMBL11374305 0.72 KMT2A (0.46) GPR35GAAABCB1CASP1ALDH1A1
SCHEMBL11602617 0.70 RAB9A (0.36) GPR35GAAALDH1A1TDP1KMT2A
SCHEMBL7028782 0.70 ALDH1A1 (0.52) GAAPRKCZCASP1ALDH1A1SMN1; SMN2
SCHEMBL8501054 0.69 GSK3B (0.51) GAAALDH1A1SMN1; SMN2PKMMEN1
SCHEMBL11085849 0.69 MAPT (0.49) GAAALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL10465943 0.69 MAPT (0.45) GAAALDH1A1TDP1SMN1; SMN2PKM

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 43/4885GAA 4519/4885ABCB1 3620/4885

“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.