SCHEMBL1930559

SCHEMBL1930559

Cc1cc([C@@H](C(=O)Nc2cc(CCC(=O)O)ccc2Cl)[C@@H](C)C(F)(F)F)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.44
S1PR3 Q99500 4/20 0.42
S1PR5 Q9H228 4/20 0.42
PTGES O14684 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL6900081 0.92 L3MBTL1 (0.41) S1PR1S1PR3S1PR5PTGESL3MBTL1
SCHEMBL1931965 0.92 FFAR1 (0.41) S1PR1S1PR3S1PR5PTGESL3MBTL1
SCHEMBL1933000 0.91 L3MBTL1 (0.47) S1PR1S1PR3S1PR5PTGESL3MBTL1
SCHEMBL6901605 0.90 MEN1 (0.40) S1PR1S1PR3S1PR5PTGESL3MBTL1
SCHEMBL1932582 0.89 KMT2A (0.39) S1PR1S1PR3S1PR5PTGESL3MBTL1
SCHEMBL1931935 0.89 KMT2A (0.39) S1PR1S1PR3S1PR5PTGESL3MBTL1
SCHEMBL1932256 0.89 KMT2A (0.39) S1PR1S1PR3S1PR5PTGESL3MBTL1
SCHEMBL6901564 0.89 L3MBTL1 (0.46) L3MBTL1KMT2ASMN1; SMN2FFAR1
SCHEMBL1933461 0.88 NR1H4 (0.43) S1PR1S1PR3S1PR5L3MBTL1MEN1
SCHEMBL6900256 0.88 L3MBTL1 (0.37) S1PR1S1PR3S1PR5PTGESL3MBTL1

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 9 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
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 S1PR1 1817/4885S1PR3 938/4885S1PR5 1425/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH S1PR1 1817/4885S1PR3 938/4885S1PR5 1425/4885

“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.