SCHEMBL1903267

SCHEMBL1903267

C[C@H]([C@H](C(=O)Nc1cc(CCC(=O)OC(C)(C)C)ccc1C#N)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR2 O15552 4/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 3/20 0.34
S1PR3 Q99500 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CACNA1H O95180 1/20 0.32
TRPA1 O75762 1/20 0.32
HTRA1 Q92743 2/20 0.32
CASR P41180 1/20 0.32

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
SCHEMBL1931098 0.89 P2RX3 (0.36) FFAR2CNR1HTRA1
SCHEMBL1903340 0.89 L3MBTL1 (0.38) MEN1LMNAKMT2AFFAR2CNR1
SCHEMBL1932232 0.89 P2RX3 (0.36) FFAR2CNR1HTRA1
SCHEMBL1932705 0.89 CNR1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL6902839 0.86 ALDH1A1 (0.35) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL1930502 0.84 L3MBTL1 (0.38) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL1932246 0.82 L3MBTL1 (0.39) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL6900385 0.82 L3MBTL1 (0.38) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL1932521 0.82 L3MBTL1 (0.41) ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL1932902 0.82 L3MBTL1 (0.37) MEN1ALDH1A1LMNAKMT2AL3MBTL1

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 12 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-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 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
EP-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 EP disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 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
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 (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 MEN1 4182/4885ALDH1A1 431/4885LMNA 340/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH MEN1 4182/4885ALDH1A1 431/4885LMNA 340/4885

“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.