Sugi Predict

Sugi Predict / Compounds / SCHEMBL2745136

SCHEMBL2745136

SCHEMBL2745136

Cc1ccc(C(=O)O)cc1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.58
▸ BAD Q92934 1/20 0.58
▸ GRIK1 P39086 1/20 0.56
▸ GRIA1 P42261 1/20 0.56
▸ GRIA2 P42262 1/20 0.56
▸ GRIA3 P42263 1/20 0.56
▸ GRIA4 P48058 1/20 0.56
▸ MAP4K4 O95819 1/20 0.49
▸ MAPK14 Q16539 6/20 0.46
▸ RXRA P19793 3/20 0.46
▸ RARA P10276 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ GCGR P47871 1/20 0.45
▸ RXRB P28702 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RARB P10826 3/20 0.43
▸ RARG P13631 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTR7 P34969 1/20 0.43

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
SCHEMBL4603074 0.89 GRIK1 (0.62) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2943490 0.86 BCL2L1 (0.58) BCL2L1BADMAP4K4MAPK14RXRA
SCHEMBL2744390 0.86 GRIK1 (0.59) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL18165201 0.85 MAPK14 (0.52) BCL2L1BADMAPK14ABL1
SCHEMBL2744011 0.84 GRIK1 (0.57) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2744081 0.84 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL18152481 0.83 GRIK1 (0.57) BCL2L1BADGRIK1GRIA1GRIA2
SCHEMBL7112789 0.83 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2428750 0.82 CYP2C8 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL1890376 0.82 GRIK1 (0.52) GRIK1GRIA1GRIA2GRIA3GRIA4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 — — US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — WO claimed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 — — EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 — — US disclosed
US-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES BUONAMICI SILVIA (US) 2015-01-22 — — US disclosed
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS DORSCH MARION (US) 2014-07-17 — — US disclosed
US-8778927-B2 Smoothened antagonism for the treatment of hedgehog pathway-related disorders NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-8507471-B2 Biphenylcarboxamide derivatives as hedgehod pathway modulators IRM LLC (BM) 2013-08-13 — — US disclosed
EP-2464423-A1 METHODS AND COMPOSITIONS FOR TREATING LEUKEMIA Novartis AG (CH) 2012-06-20 — — EP disclosed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 — — US disclosed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US disclosed
WO-2010037715-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2010-04-08 — — WO disclosed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — 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 (6 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-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES MTOR, ULK1, HRAS BCL2L1 1005/4885BAD 784/4885GRIK1 2653/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR BCL2L1 62/4885BAD 696/4885GRIK1 3455/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 BCL2L1 106/4885BAD 267/4885GRIK1 651/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BCL2L1 364/4885BAD 859/4885GRIK1 413/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BCL2L1 364/4885BAD 859/4885GRIK1 413/4885
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO BCL2L1 1058/4885BAD 1648/4885GRIK1 321/4885

“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.