SCHEMBL6901605

SCHEMBL6901605

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PTGES O14684 2/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
FFAR4 Q5NUL3 3/20 0.36
GAA P10253 1/20 0.36
FFAR1 O14842 4/20 0.35
PTGS2 P35354 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
SCHEMBL1931965 0.92 FFAR1 (0.41) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1
SCHEMBL6900081 0.92 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1
SCHEMBL1933000 0.91 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1
SCHEMBL1930559 0.90 S1PR1 (0.44) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1
SCHEMBL6901564 0.89 L3MBTL1 (0.46) KMT2AL3MBTL1SMN1; SMN2ALDH1A1CTDSP1
SCHEMBL1932582 0.89 KMT2A (0.39) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1
SCHEMBL1932256 0.89 KMT2A (0.39) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1
SCHEMBL1931935 0.89 KMT2A (0.39) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1
SCHEMBL1933461 0.88 NR1H4 (0.43) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1
SCHEMBL6901181 0.88 L3MBTL1 (0.37) MEN1KMT2AL3MBTL1SMN1; SMN2TRPV1

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

“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.