SCHEMBL3685960

SCHEMBL3685960

O=C(O)CCc1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
FFAR1 O14842 7/20 0.45
KMO O15229 1/20 0.44
FFAR4 Q5NUL3 4/20 0.43
ACLY P53396 1/20 0.43
FFAR2 O15552 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXRA P19793 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL3681324 0.87 THRA (0.49) PTGDR2THRATHRBFFAR1KMO
SCHEMBL15524659 0.83 RXRA (0.50) THRATHRBACLYRXRANR1H2
SCHEMBL30578302 0.82 IDO1 (0.42) ACLY
SCHEMBL15094094 0.82 POLQ (0.51) PTGDR2FFAR1KMOFFAR4PPARD
SCHEMBL2393327 0.82 POLB (0.54) PTGDR2FFAR1KMOFFAR4FFAR2
SCHEMBL584750 0.82 FFAR1 (0.54) PTGDR2FFAR1FFAR4
SCHEMBL5429112 0.82 PPARD (0.42) PTGDR2THRATHRBFFAR1FFAR4
SCHEMBL11524595 0.81 MGLL (0.47) PTGDR2THRATHRBFFAR1FFAR4
SCHEMBL4007916 0.81 FFAR1 (0.58) PTGDR2FFAR1KMOFFAR4RXRA
SCHEMBL26008440 0.80 IDO1 (0.39) ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831053-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-06-22 EP disclosed
EP-2831053-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-06-22 EP disclosed
US-9067921-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2015-06-30 US disclosed
EP-2831053-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS Boehringer Ingelheim International GmbH (DE) 2015-02-04 EP disclosed
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-8680104-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2014-03-25 US disclosed
WO-2013144098-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013144098-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
EP-1734966-B1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2013-07-31 EP disclosed
EP-1734966-B1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2013-07-31 EP disclosed
EP-1734966-A4 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2009-04-22 EP disclosed
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
CN-101035774-A Modulators of CRTH-2 receptor activity for the treatment of prostaglandin D2 mediated diseases ASTRAZENECA AB (SE) 2007-09-12 CN disclosed
EP-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP disclosed
CN-1968698-A Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE SAN DIEGO INC (US) 2007-05-23 CN disclosed
EP-1734966-A2 PIPERIZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS Incyte Corporation (US) 2006-12-27 EP disclosed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION 2005-11-24 US disclosed
WO-2005101838-A2 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2005-10-27 WO disclosed
US-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 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 (3 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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 PTGDR2 1/4885THRA 562/4885THRB 504/4885
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists CCR5, CCR2, CXCR5 PTGDR2 144/4885THRA 2030/4885THRB 1638/4885
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 PTGDR2 144/4885THRA 2030/4885THRB 1638/4885

“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.