SCHEMBL6903100

SCHEMBL6903100

CCOC(=O)C(C)Cc1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)cc2)[C@@H](C)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
FFAR2 O15552 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
EPHX2 P34913 3/20 0.37
PPARG P37231 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1903627 1.00 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATRPV1FFAR2
SCHEMBL1903819 1.00 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATRPV1FFAR2
SCHEMBL1932014 0.94 EPHX2 (0.37) L3MBTL1MEN1KMT2ATRPV1MAPK1
SCHEMBL1932219 0.93 SMN1; SMN2 (0.38) L3MBTL1MEN1KMT2ATRPV1MAPK1
SCHEMBL6901696 0.93 EPHX2 (0.36) L3MBTL1MEN1KMT2ATRPV1MAPK1
SCHEMBL1931299 0.93 EPHX2 (0.37) L3MBTL1MEN1KMT2ATRPV1MAPK1
SCHEMBL1931255 0.93 FFAR2 (0.37) FFAR2EPHX2PPARGGAAMAPT
SCHEMBL6901962 0.92 EPHX2 (0.36) L3MBTL1MEN1KMT2ATRPV1EPHX2
SCHEMBL1932527 0.91 EPHX2 (0.46) L3MBTL1MEN1KMT2ATRPV1FFAR2
SCHEMBL1931804 0.91 EPHX2 (0.46) L3MBTL1MEN1KMT2ATRPV1FFAR2

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 6 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-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 L3MBTL1 2594/4885MEN1 4182/4885KMT2A 3688/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH L3MBTL1 2594/4885MEN1 4182/4885KMT2A 3688/4885

“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.