SCHEMBL1905489

SCHEMBL1905489

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 9/20 0.47
POLB P06746 1/20 0.42
PRCP P42785 1/20 0.41
BRD4 O60885 1/20 0.41
PPARG P37231 3/20 0.40
CYP2D6 P10635 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL1906571 1.00 FFAR2 (0.47) FFAR2POLBPRCPBRD4PPARG
SCHEMBL22491784 1.00 FFAR2 (0.47) FFAR2POLBPRCPBRD4PPARG
SCHEMBL9899646 1.00 FFAR2 (0.47) FFAR2POLBPRCPBRD4PPARG
Benzoquinone SCHEMBL22491815 0.92 FFAR2 (0.42) FFAR2POLBPRCPBRD4PPARG
SCHEMBL14798252 0.89 CYP2D6 (0.46) FFAR2POLBCYP2D6
SCHEMBL1932498 0.89 CYP2D6 (0.46) FFAR2POLBCYP2D6
SCHEMBL1907199 0.86 FFAR2 (0.47) FFAR2PRCPBRD4ADRB2
SCHEMBL1905993 0.86 FFAR2 (0.47) FFAR2PRCPBRD4ADRB2
SCHEMBL24893814 0.86 AKR1C3 (0.46) PPARGGRNSORT1
SCHEMBL24893827 0.86 AKR1C3 (0.46) PPARGGRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 US disclosed
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 US disclosed
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 US disclosed
US-20210179541-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
US-20210179541-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-12-10 US disclosed
EP-3717480-A1 METHOD FOR PRODUCING (3S)-3-(4-CHLOR-3-{[(2S,3R)-2-(4-CHLORPHENYL)-4,4,4-TRIFLUOR-3-METHYLBUTANOYL]AMINO}PHENYL)-3-CYCLO-PROPYLPROPANOIC ACID AND THE CRYSTALLINE FORM THEREOF FOR USE AS A PHARMACEUTICAL INGREDIENT Bayer Pharma Aktiengesellschaft (DE) 2020-10-07 EP disclosed
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 US disclosed
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-04 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-16 US disclosed
US-8796335-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
EP-2493845-B1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER IP GMBH (DE) 2013-12-25 EP disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 US disclosed
EP-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 EP disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 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 (12 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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH FFAR2 197/4885POLB 3032/4885PRCP 111/4885
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR2 169/4885POLB 1933/4885PRCP 522/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH FFAR2 197/4885POLB 3032/4885PRCP 111/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR2 169/4885POLB 1933/4885PRCP 522/4885
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA FFAR2 169/4885POLB 1933/4885PRCP 522/4885
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR2 169/4885POLB 1933/4885PRCP 522/4885
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA FFAR2 169/4885POLB 1933/4885PRCP 522/4885
US-20210179541-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient FABP3, PCCA, HMGCR FFAR2 75/4885POLB 4083/4885PRCP 80/4885
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR2 169/4885POLB 1933/4885PRCP 522/4885
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA FFAR2 154/4885POLB 3613/4885PRCP 878/4885
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient FABP3, PCCA, HMGCR FFAR2 75/4885POLB 4083/4885PRCP 80/4885
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA FFAR2 169/4885POLB 1933/4885PRCP 522/4885

“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.