SCHEMBL2176204

SCHEMBL2176204

Cc1c(C(=O)O)sc2c(C(C)Br)csc12

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 18/20 0.65
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL404702 0.79 GPR35 (1.00) GPR35PKMNPSR1RXFP1
SCHEMBL1030730 0.78 GPR35 (0.70) GPR35
SCHEMBL10186088 0.74 GPR35 (0.66) GPR35PKMNPSR1RXFP1
SCHEMBL2176207 0.71 GPR35 (0.61) GPR35PKMNPSR1RXFP1
SCHEMBL10186093 0.70 GPR35 (0.60) GPR35PKMNPSR1RXFP1
SCHEMBL15342922 0.69 GPR35 (0.67) GPR35PKMNPSR1RXFP1
SCHEMBL27581548 0.68 AXL (0.43) GPR35PKMNPSR1
SCHEMBL10144278 0.65 GPR35 (0.73) GPR35PKMNPSR1RXFP1
SCHEMBL27857061 0.65 GPR35 (0.49) GPR35PKM
SCHEMBL406991 0.64 GPR35 (0.62) GPR35

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-20120295965-A1 FUSED THIOPHENES AS DUAL INHIBITORS OF EGFR/VEGFR AND THEIR USE IN THE TREATMENT OF CANCER CORNING INCORPORATED 2012-11-22 US disclosed
WO-2011081971-A2 EGFR/VEGFR DUAL MODULATORS AND METHODS OF USING CORNING INCORPORATED (US) 2011-07-07 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-20120295965-A1 FUSED THIOPHENES AS DUAL INHIBITORS OF EGFR/VEGFR AND THEIR USE IN THE TREATMENT OF CANCER EGFR, ERBB2, KDR GPR35 1127/4885PKM 4079/4885NPSR1 2283/4885

“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.