SCHEMBL1799765

SCHEMBL1799765

O=C(O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.54
EPHX2 P34913 1/20 0.53
P2RY14 Q15391 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
IDO1 P14902 1/20 0.48
HTR2C P28335 1/20 0.47
CNR1 P21554 3/20 0.45
KCNH2 Q12809 1/20 0.44
LPAR2 Q9HBW0 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MAOA P21397 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
SCHEMBL1795393 1.00 FFAR1 (0.54) FFAR1EPHX2P2RY14TMEM97IDO1
SCHEMBL1474431 1.00 FFAR1 (0.54) FFAR1EPHX2P2RY14TMEM97IDO1
SCHEMBL23425321 1.00 FFAR1 (0.54) FFAR1EPHX2P2RY14TMEM97IDO1
SCHEMBL1474653 1.00 FFAR1 (0.54) FFAR1EPHX2P2RY14TMEM97IDO1
SCHEMBL19403737 0.84 HTR2C (0.46) FFAR1HTR2CCNR1KCNH2
SCHEMBL23550026 0.84 HTR2C (0.46) FFAR1HTR2CCNR1KCNH2
SCHEMBL22398100 0.84 FFAR1 (0.53) FFAR1P2RY14TMEM97HTR2CCNR1
SCHEMBL23550049 0.84 HTR2C (0.46) FFAR1HTR2CCNR1KCNH2
SCHEMBL19403677 0.84 HTR2C (0.46) FFAR1HTR2CCNR1KCNH2
SCHEMBL1474216 0.83 FFAR1 (0.50) FFAR1EPHX2P2RY14TMEM97IDO1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112312902-B Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids 斯克里普斯研究学院 2022-02-18 CN disclosed
US-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-01 US disclosed
US-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-01 US disclosed
US-20210087131-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE 2021-03-25 US disclosed
US-20210087131-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE 2021-03-25 US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US 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 (5 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 FFAR1 578/4885EPHX2 4744/4885P2RY14 392/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 FFAR1 578/4885EPHX2 4744/4885P2RY14 392/4885
US-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids PDCD1, PDK3, PDCD1LG2 FFAR1 119/4885EPHX2 314/4885P2RY14 4548/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 FFAR1 578/4885EPHX2 4744/4885P2RY14 392/4885
US-20210087131-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS PDCD1, PDK3, PDCD1LG2 FFAR1 124/4885EPHX2 291/4885P2RY14 4569/4885

“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.