SCHEMBL1931965

SCHEMBL1931965

C[C@H]([C@H](C(=O)Nc1cc(CCC(=O)O)ccc1Cl)c1ccc(Cl)c(Cl)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
PTGES O14684 2/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
PYGL P06737 1/20 0.36

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 0.94 L3MBTL1 (0.41) FFAR1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL1933000 0.93 L3MBTL1 (0.47) FFAR1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6901605 0.92 MEN1 (0.40) FFAR1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL1930559 0.92 S1PR1 (0.44) FFAR1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6901564 0.91 L3MBTL1 (0.46) FFAR1L3MBTL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1932582 0.91 KMT2A (0.39) FFAR1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL1932256 0.91 KMT2A (0.39) FFAR1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL1931935 0.91 KMT2A (0.39) FFAR1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL1933461 0.90 NR1H4 (0.43) L3MBTL1MEN1KMT2ASMN1; SMN2TRPV1
SCHEMBL6901415 0.89 LMNA (0.40) FFAR1L3MBTL1MEN1KMT2AS1PR1

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 FFAR1 259/4885L3MBTL1 2594/4885MEN1 4182/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH FFAR1 259/4885L3MBTL1 2594/4885MEN1 4182/4885

“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.