SCHEMBL2744908

SCHEMBL2744908

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
RARB P10826 2/20 0.48
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 1/20 0.46
MAPK14 Q16539 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1C3 P42330 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL25146344 0.88 RARB (0.61) RARBAKR1C2AKR1C1MEN1KMT2A
SCHEMBL4602270 0.84 GRIK1 (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2744296 0.83 ALDH1A1 (0.59) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4603074 0.82 GRIK1 (0.62) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL27760928 0.82 GRIK1 (0.52) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL9369118 0.81 ADRB3 (0.56) RARBAKR1C2AKR1C1MEN1KMT2A
SCHEMBL2744279 0.81 RARB (0.63) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2744483 0.80 GRIK1 (0.54) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2744390 0.79 GRIK1 (0.59) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL452233 0.79 PTGS1 (0.60) RARBAKR1C2KMT2APTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 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
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 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
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
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 EP disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 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 GRIK1 2653/4885GRIA1 2866/4885GRIA2 3212/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR GRIK1 3455/4885GRIA1 1565/4885GRIA2 2135/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 GRIK1 651/4885GRIA1 380/4885GRIA2 298/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO GRIK1 413/4885GRIA1 523/4885GRIA2 617/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO GRIK1 413/4885GRIA1 523/4885GRIA2 617/4885
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO GRIK1 321/4885GRIA1 586/4885GRIA2 485/4885

“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.