SCHEMBL1931302

SCHEMBL1931302

CC[C@@](C)(Cc1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)c(C)c2)[C@@H](C)C(F)(F)F)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PPARA Q07869 7/20 0.37
PPARD Q03181 5/20 0.37
S1PR1 P21453 8/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 2/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL1932221 0.93 L3MBTL1 (0.39) L3MBTL1PPARAPPARDSMN1; SMN2ALDH1A1
SCHEMBL6900965 0.92 L3MBTL1 (0.40) L3MBTL1PPARAPPARDSMN1; SMN2ALDH1A1
SCHEMBL1931744 0.92 L3MBTL1 (0.40) L3MBTL1PPARAPPARDSMN1; SMN2ALDH1A1
SCHEMBL1931835 0.92 L3MBTL1 (0.40) L3MBTL1PPARAPPARDSMN1; SMN2ALDH1A1
SCHEMBL1930555 0.92 L3MBTL1 (0.40) L3MBTL1PPARAPPARDSMN1; SMN2ALDH1A1
SCHEMBL15546034 0.84 PPARA (0.40) L3MBTL1PPARAPPARDSMN1; SMN2ALDH1A1
SCHEMBL1932886 0.83 L3MBTL1 (0.38) L3MBTL1PPARAPPARDALDH1A1MEN1
SCHEMBL1930559 0.83 S1PR1 (0.44) L3MBTL1S1PR1SMN1; SMN2MEN1KMT2A
SCHEMBL1930762 0.83 S1PR1 (0.40) L3MBTL1S1PR1SMN1; SMN2MEN1KMT2A
SCHEMBL1931299 0.82 EPHX2 (0.37) L3MBTL1S1PR1SMN1; SMN2ALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH L3MBTL1 2594/4885PPARA 5/4885PPARD 36/4885

“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.