SCHEMBL4547677

SCHEMBL4547677

Fc1ccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.44
PTPN1 P18031 6/20 0.43
PTPN2 P17706 3/20 0.43
PTPN6 P29350 3/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
PSEN1 P49768 2/20 0.42
ALOX5 P09917 1/20 0.42
LRRK2 Q5S007 1/20 0.41
PTPRC P08575 1/20 0.41
PTPRB P23467 1/20 0.41
PTPN11 Q06124 1/20 0.41
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL12384331 0.90 PTPN1 (0.45) PPARDPTPN1PTPN2PTPN6RXRA
SCHEMBL12384370 0.87 PTPN1 (0.43) PPARDPTPN1LRRK2MRGPRX4
SCHEMBL12384381 0.86 MAOB (0.42) PPARDPTPN1PTPN2PTPN6RXRA
SCHEMBL12384374 0.86 L3MBTL1 (0.47) LRRK2MRGPRX4
SCHEMBL4547664 0.85 CYP11B1 (0.45) PPARDPTPN1PSEN1ALOX5LRRK2
SCHEMBL4603133 0.84 HTR2A (0.39) PPARDPSEN1ALOX5SLC6A4
SCHEMBL2676421 0.80 PPARD (0.48) PPARDPTPN1PTPN2PTPN6RXRA
SCHEMBL4547681 0.80 PTPN1 (0.47) PPARDPTPN1PTPN2PTPN6RXRA
SCHEMBL12384351 0.79 SLC6A4 (0.44) PTPN1SLC6A4MRGPRX4
Bromide SCHEMBL2675460 0.79 PPARD (0.44) PPARDPTPN1PTPN2PTPN6RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 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 (2 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 PPARD 191/4885PTPN1 3484/4885PTPN2 3313/4885
US-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 PPARD 17/4885PTPN1 143/4885PTPN2 187/4885

“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.