SCHEMBL1932025

SCHEMBL1932025

Nc1cccc(C(CC(=O)O)C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.49
CPB2 Q96IY4 1/20 0.49
FFAR1 O14842 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PBRM1 Q86U86 1/20 0.38
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGDS O60760 1/20 0.36
PNMT P11086 1/20 0.36
MME P08473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3658761 0.83 KYNU (0.44) FFAR1GABBR2GABBR1CA1CA2
SCHEMBL3660011 0.83 KYNU (0.44) FFAR1GABBR2GABBR1CA1CA2
SCHEMBL3053473 0.81 GABBR2 (0.48) CPB2FFAR1GABBR2GABBR1CYP2C19
SCHEMBL19817286 0.81 GABBR2 (0.48) CPB2FFAR1GABBR2GABBR1CYP2C19
SCHEMBL23125123 0.81 ACP3 (0.50) SMN1; SMN2POLBIDO1PNMTKMT2A
SCHEMBL29099531 0.81 CTSA (0.47) FFAR1GABBR2GABBR1SMN1; SMN2IDO1
SCHEMBL30185583 0.81 CTSA (0.47) FFAR1GABBR2GABBR1SMN1; SMN2IDO1
SCHEMBL1904331 0.80 CPN1 (0.40) CPN1CPB2FFAR1OPRK1
SCHEMBL1930538 0.77 IDO1 (0.43) FFAR1GABBR2GABBR1SMN1; SMN2POLB
SCHEMBL4612046 0.77 SMN1; SMN2 (0.56) CPN1CPB2FFAR1GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 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 (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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH CPN1 2200/4885CPB2 328/4885FFAR1 259/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH CPN1 2200/4885CPB2 328/4885FFAR1 259/4885

“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.