SCHEMBL406954

SCHEMBL406954

CCCCCCc1csc2cc(C(=O)O)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 1.00
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 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
HCAR2 Q8TDS4 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL11023679 1.00 GPR35 (1.00) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL10144284 0.89 GPR35 (0.80) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL11022449 0.88 GPR35 (0.78) GPR35CYSLTR2CYSLTR1TSHRMEN1
SCHEMBL11885373 0.88 GPR35 (0.78) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL12704403 0.86 GPR35 (0.75) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL28423391 0.77 GPR35 (0.62) GPR35CYSLTR2CYSLTR1TSHRMEN1
SCHEMBL2180172 0.76 GPR35 (0.62) GPR35
SCHEMBL1244933 0.76 GPR35 (0.61) GPR35BCL2L1
SCHEMBL23668753 0.75 GPR35 (0.60) GPR35CYSLTR2CYSLTR1TSHRMEN1
SCHEMBL28622631 0.75 GPR35 (0.59) GPR35BIDMCL1BCL2L1BAK1

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 8 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
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-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
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 1/4885BID 2962/4885MCL1 4000/4885
US-20120295965-A1 FUSED THIOPHENES AS DUAL INHIBITORS OF EGFR/VEGFR AND THEIR USE IN THE TREATMENT OF CANCER EGFR, ERBB2, KDR GPR35 1127/4885BID 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.