SCHEMBL4646820

SCHEMBL4646820

Cc1cc(Cl)c2scc(CO)c2c1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 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
SCHEMBL4641921 0.80 GPR35 (0.33) CYP2A6
SCHEMBL4643410 0.78 CYP2A6 (0.34) CYP2A6
SCHEMBL4644261 0.74 PPARD (0.31)
SCHEMBL4644259 0.70 CYP2A6 (0.33) CYP2A6
SCHEMBL4642305 0.67 CYP2A6 (0.44) CYP2A6
SCHEMBL2662782 0.65 SHBG (0.43)
SCHEMBL14094903 0.65 SHBG (0.39)
SCHEMBL11312348 0.65 HPGD (0.33)
SCHEMBL4644091 0.64 CYP2A6 (0.34) CYP2A6
SCHEMBL13696619 0.64 SHBG (0.42)

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-1298130-B1 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TEIJIN PHARMA LTD (JP) 2008-08-13 EP disclosed
US-6774245-B2 SELECTIVE HYDROGENATION OF 7-SUBSTITUTED-3-HYDROXYMETHYL-BENZO(B)THIOPHENE DERIVATIVE; CYCLIZATION, SULFIDING TEIJIN LIMITED (JP) 2004-08-10 US disclosed
US-20030191325-A1 3-Hydroxymethylbenzo[b]thiophene derivatives and process for their preparation TEIJIN LIMITED (JP) 2003-10-09 US disclosed
EP-1298130-A1 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TEIJIN LIMITED (JP) 2003-04-02 EP 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-20030191325-A1 3-Hydroxymethylbenzo[b]thiophene derivatives and process for their preparation TST, SULT1E1, CYP4B1 CYP2A6 163/4885

“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.