SCHEMBL6902839

SCHEMBL6902839

CC(Cc1ccc(C#N)c(NC(=O)[C@H](c2ccc(Cl)cc2)[C@@H](C)C(F)(F)F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 5/20 0.34
CNR2 P34972 4/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34
FFAR2 O15552 4/20 0.34
CTSL P07711 1/20 0.34
HTRA1 Q92743 2/20 0.33
S1PR3 Q99500 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL6901571 0.89 ALDH1A1 (0.38) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL1903267 0.86 MEN1 (0.35) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL1903265 0.84 FFAR2 (0.37) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL1932705 0.81 CNR1 (0.40) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL1903819 0.79 L3MBTL1 (0.40) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL6903100 0.79 L3MBTL1 (0.40) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL1931255 0.79 FFAR2 (0.37) FFAR2GAAP2RX3
SCHEMBL1903627 0.79 L3MBTL1 (0.40) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL12555690 0.78 L3MBTL1 (0.31)
SCHEMBL1905640 0.77 KMT2A (0.37) MEN1HTTKMT2AFFAR2HTRA1

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 8 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
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 (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 ALDH1A1 431/4885MEN1 4182/4885LMNA 340/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH ALDH1A1 431/4885MEN1 4182/4885LMNA 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.