SCHEMBL10144491

SCHEMBL10144491

CCCCCCCCCCC(=O)c1sc2c(Br)csc2c1Br

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.57
CA2 P00918 1/20 0.45
PLA2G4A P47712 1/20 0.43
HSD17B3 P37058 5/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
ELANE P08246 2/20 0.39

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
SCHEMBL1363701 0.88 CES2 (0.47) GPR35PLA2G4AHSD17B3CES2CES1
SCHEMBL1364678 0.88 CES2 (0.47) GPR35PLA2G4AHSD17B3CES2CES1
SCHEMBL1365090 0.88 CES2 (0.47) GPR35PLA2G4AHSD17B3CES2CES1
SCHEMBL9948832 0.86 GPR35 (0.49) GPR35CA2PLA2G4AHSD17B3ELANE
SCHEMBL10018136 0.86 GPR35 (0.49) GPR35CA2PLA2G4AHSD17B3ELANE
SCHEMBL14645595 0.81 GSK3B (0.56) GPR35CA2PLA2G4AHSD17B3CES2
SCHEMBL14645639 0.81 GSK3B (0.56) GPR35CA2PLA2G4AHSD17B3CES2
SCHEMBL12374319 0.81 GSK3B (0.56) GPR35CA2PLA2G4AHSD17B3CES2
SCHEMBL1164781 0.81 GSK3B (0.56) GPR35CA2PLA2G4AHSD17B3CES2
Methyl Nonyl Ketone SCHEMBL407270 0.76 GPR35 (0.52) GPR35CA2PLA2G4ACES2CES1

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 3 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
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

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 1/4885CA2 656/4885PLA2G4A 792/4885
US-20120295965-A1 FUSED THIOPHENES AS DUAL INHIBITORS OF EGFR/VEGFR AND THEIR USE IN THE TREATMENT OF CANCER EGFR, ERBB2, KDR GPR35 1127/4885CA2 3178/4885PLA2G4A 3583/4885

“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.