SCHEMBL2743754

SCHEMBL2743754

Cc1ccc(C(=O)O)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.56
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
SRD5A1 P18405 1/20 0.51
TTR P02766 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
CRHBP P24387 1/20 0.46
RAB9A P51151 1/20 0.46
CRHR2 Q13324 1/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 1/20 0.46
TNKS2 Q9H2K2 1/20 0.45
PLA2G7 Q13093 1/20 0.45
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RARA P10276 1/20 0.44
RARB P10826 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
SCHEMBL2744766 0.82 PLA2G7 (0.63) SRD5A2KDM4EALDH1A1SRD5A1TTR
SCHEMBL5705016 0.81 SRD5A2 (0.69) SRD5A2KDM4ESRD5A1TTRSMN1; SMN2
SCHEMBL2769863 0.78 TSHR (0.71) SRD5A2KDM4EALDH1A1SRD5A1TTR
Hydrochloric Acid SCHEMBL9812972 0.77 TSHR (0.68) SRD5A2KDM4EALDH1A1SRD5A1TTR
SCHEMBL2744942 0.76 ADRB1 (0.56) NPC1RAB9AKDM4C
SCHEMBL444367 0.76 SRD5A2 (0.90) SRD5A2KDM4EALDH1A1MRGPRX4SRD5A1
SCHEMBL14252435 0.75 GRIK1 (0.50) KDM4EALDH1A1TTRSMN1; SMN2NPC1
SCHEMBL697363 0.75 TSHR (0.65) SRD5A2KDM4EALDH1A1MRGPRX4TTR
SCHEMBL29619400 0.75 TSHR (0.65) SRD5A2KDM4EALDH1A1MRGPRX4TTR
SCHEMBL12365777 0.75 SRD5A2 (0.56) SRD5A2KDM4EALDH1A1MRGPRX4SRD5A1

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 27 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
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
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 SRD5A2 4225/4885KDM4E 1283/4885ALDH1A1 4518/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR SRD5A2 4804/4885KDM4E 2329/4885ALDH1A1 1851/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 SRD5A2 1267/4885KDM4E 1039/4885ALDH1A1 1475/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SRD5A2 2974/4885KDM4E 1129/4885ALDH1A1 2214/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SRD5A2 2974/4885KDM4E 1129/4885ALDH1A1 2214/4885
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO SRD5A2 669/4885KDM4E 1460/4885ALDH1A1 2845/4885

“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.