SCHEMBL11932089

SCHEMBL11932089

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 2/20 0.43
EPHX2 P34913 1/20 0.43
FFAR1 O14842 2/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GAA P10253 1/20 0.39
PDE2A O00408 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 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
SCHEMBL1904465 1.00 POLB (0.46) POLBNPSR1PPARGEPHX2FFAR1
SCHEMBL11932088 1.00 POLB (0.46) POLBNPSR1PPARGEPHX2FFAR1
SCHEMBL11932090 0.90 POLB (0.40) POLBNPSR1PPARGEPHX2MEN1
SCHEMBL1905063 0.90 POLB (0.40) POLBMAPTMEN1KMT2A
SCHEMBL6900908 0.90 POLB (0.40) POLBMAPTMEN1KMT2A
SCHEMBL6899887 0.88 SMN1; SMN2 (0.47) POLBKDM4EMEN1KMT2AGAA
SCHEMBL11932087 0.88 KMT2A (0.40) POLBNPSR1MAPTMEN1KMT2A
SCHEMBL517023 0.88 KMT2A (0.40) POLBNPSR1MAPTMEN1KMT2A
SCHEMBL6902038 0.87 PDE2A (0.45) POLBNPSR1PPARGEPHX2KDM4E
SCHEMBL28016609 0.87 MAPT (0.41) NPSR1PPARGEPHX2MAPTKDM4E

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
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic 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-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic 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-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US 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
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 (3 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 POLB 3032/4885NPSR1 2708/4885PPARG 15/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH POLB 3032/4885NPSR1 2708/4885PPARG 15/4885
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA POLB 3613/4885NPSR1 3538/4885PPARG 66/4885

“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.