SCHEMBL6902520

SCHEMBL6902520

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HTRA1 Q92743 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
FDFT1 P37268 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
SCHEMBL1932640 0.93 L3MBTL1 (0.45) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL1908272 0.93 L3MBTL1 (0.45) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL6903201 0.93 L3MBTL1 (0.45) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL6901054 0.93 L3MBTL1 (0.45) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL12535983 0.93 L3MBTL1 (0.45) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL1930517 0.92 L3MBTL1 (0.38) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL1932195 0.92 L3MBTL1 (0.38) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL1930762 0.92 S1PR1 (0.40) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL1931896 0.92 L3MBTL1 (0.38) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1
SCHEMBL1930817 0.92 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1KMT2AL3MBTL1MEN1

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 SMN1; SMN2 3173/4885TRPV1 1672/4885KMT2A 3688/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH SMN1; SMN2 3173/4885TRPV1 1672/4885KMT2A 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.