SCHEMBL2180174

SCHEMBL2180174

CCCCCCc1csc2c(CC)c(C(=O)O)sc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.65
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
PPARA Q07869 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
HCAR2 Q8TDS4 1/20 0.37
RARB P10826 1/20 0.35

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
SCHEMBL12487323 0.93 GPR35 (0.75) GPR35BIDMCL1PPARABCL2L1
SCHEMBL1157327 0.93 GPR35 (0.75) GPR35BIDMCL1PPARABCL2L1
Acetic Acid SCHEMBL2175833 0.90 GPR35 (0.71) GPR35BIDMCL1PPARABCL2L1
SCHEMBL9948994 0.86 GPR35 (0.66) GPR35BIDMCL1PPARABCL2L1
SCHEMBL1030731 0.85 GPR35 (0.72) GPR35BIDMCL1PPARABCL2L1
SCHEMBL13961892 0.82 GPR35 (0.59) GPR35BIDMCL1PPARABCL2L1
SCHEMBL13961905 0.82 GPR35 (0.59) GPR35BIDMCL1PPARABCL2L1
SCHEMBL437806 0.79 GPR35 (1.00) GPR35RARB
SCHEMBL407354 0.79 GPR35 (1.00) GPR35RARB
SCHEMBL404495 0.79 GPR35 (1.00) GPR35RARB

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 1127/4885BID 532/4885MCL1 490/4885

“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.