SCHEMBL6780372

SCHEMBL6780372

COc1cc(C=O)c(-c2ccc(S(N)(=O)=O)cc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.50
PTGS1 P23219 11/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ERN1 O75460 1/20 0.49
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
PRKDC P78527 1/20 0.43

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
SCHEMBL6781906 0.89 ERN1 (0.62) PTGS2PTGS1ERN1
SCHEMBL6781440 0.86 CA1 (0.46) PTGS2PTGS1CA12CA1CA2
SCHEMBL6780867 0.83 ERN1 (0.58) ERN1
SCHEMBL6536370 0.81 ERN1 (0.51) ERN1
SCHEMBL6782470 0.81 ERN1 (0.62) ERN1
SCHEMBL6536181 0.81 ERN1 (0.63) ERN1
SCHEMBL6781758 0.81 IDO1 (0.45) ERN1RAF1BRAF
SCHEMBL6776941 0.80 ERN1 (0.43) ERN1
SCHEMBL6781727 0.80 ERN1 (0.61) PTGS2CA12CA1CA2CA9
SCHEMBL6536238 0.80 MMP9 (0.44) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709646-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
WO-2004080971-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-23 WO disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 PTGS2 680/4885PTGS1 629/4885CA12 3465/4885

“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.