SCHEMBL406992

SCHEMBL406992

CCc1sc2c(C)c(C(=O)O)sc2c1Br

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 17/20 0.70
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL1030733 0.78 GPR35 (0.64) GPR35
SCHEMBL15342922 0.73 GPR35 (0.67) GPR35PKMNPSR1RXFP1
SCHEMBL14132708 0.68 GPR35 (0.59) GPR35PKMNPSR1RXFP1
SCHEMBL404702 0.68 GPR35 (1.00) GPR35PKMNPSR1RXFP1
SCHEMBL21741108 0.68 MAPT (0.50) GPR35PKMNPSR1
SCHEMBL28039718 0.67 GPR35 (0.45) GPR35PKMNPSR1RXFP1
SCHEMBL4753776 0.66 GPR35 (0.68) GPR35PKMNPSR1RXFP1
SCHEMBL2727696 0.66 GPR35 (0.66) GPR35PKMNPSR1RXFP1
SCHEMBL14327176 0.65 GPR35 (0.44) GPR35PKMNPSR1RXFP1
SCHEMBL6772083 0.64 GRIA4 (0.53) GPR35PKMNPSR1RXFP1

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
EP-2595975-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX Corning Incorporated (US) 2013-05-29 EP disclosed
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
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 WO 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 (2 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 GPR35 1/4885PKM 1825/4885NPSR1 410/4885
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.