SCHEMBL12487331

SCHEMBL12487331

CCCCCCCCCCc1c(C(=O)O)sc2c1sc1c(Br)csc12

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 11/20 0.87
RARB P10826 7/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RARA P10276 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G4A P47712 1/20 0.34

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
SCHEMBL406794 0.93 GPR35 (1.00) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL14645634 0.93 GPR35 (1.00) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL404495 0.93 GPR35 (1.00) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL407354 0.93 GPR35 (1.00) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL437806 0.93 GPR35 (1.00) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL403560 0.93 GPR35 (1.00) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL2278156 0.93 GPR35 (1.00) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL400817 0.93 GPR35 (1.00) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL13961913 0.90 GPR35 (0.70) GPR35RARBMEN1ALDH1A1RARA
SCHEMBL1363151 0.87 GPR35 (0.68) GPR35RARBMEN1ALDH1A1RARA

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 1127/4885RARB 1054/4885MEN1 4809/4885

“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.