SCHEMBL12384331

SCHEMBL12384331

FC(F)(F)c1ccc(-c2ccc(COc3ccccc3C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
PTPN2 P17706 3/20 0.45
PTPN6 P29350 3/20 0.45
PTPRC P08575 1/20 0.45
PTPRB P23467 1/20 0.45
PTPN11 Q06124 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
PPARD Q03181 2/20 0.42
KIF11 P52732 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT1 Q99873 2/20 0.41
PSEN1 P49768 2/20 0.41
ALOX5 P09917 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PPIA P62937 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
SCHEMBL4547677 0.90 PPARD (0.44) PTPN1PTPN2PTPN6PTPRCPTPRB
SCHEMBL13443139 0.88 CARM1 (0.50) RXRARXRBRXRGHTR1ADRD2
SCHEMBL13443113 0.82 HTR1A (0.59) HTR1ADRD2ABCB1
SCHEMBL2290382 0.80 PTPN1 (0.54) PTPN1PTPN2PTPN6PTPRCPTPRB
SCHEMBL13443160 0.79 HTR1A (0.47) HTR1ADRD2ABCB1
SCHEMBL12384421 0.78 IDO1 (0.47) PTPN1RXRARXRBRXRGHTR1A
Bromide SCHEMBL2290372 0.77 PTPN1 (0.47) PTPN1PTPN2PTPN6PTPRCPTPRB
SCHEMBL12384370 0.76 PTPN1 (0.43) PTPN1PPARD
SCHEMBL5511945 0.76 PTPRC (0.54) PTPN1PTPN2PTPN6PTPRCPTPRB
SCHEMBL3457914 0.76 PTPRC (0.54) PTPN1PTPN2PTPN6PTPRCPTPRB

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-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
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-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 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 PTPN1 3484/4885PTPN2 3313/4885PTPN6 3537/4885
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 PTPN1 4670/4885PTPN2 4471/4885PTPN6 4655/4885

“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.