Sugi Predict

Sugi Predict / Compounds / SCHEMBL6901962

SCHEMBL6901962

SCHEMBL6901962

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ DHODH Q02127 4/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL1932219 0.93 SMN1; SMN2 (0.38) EPHX2PPARGL3MBTL1TRPV1KMT2A
SCHEMBL1931299 0.92 EPHX2 (0.37) EPHX2PPARGL3MBTL1TRPV1KMT2A
SCHEMBL1932014 0.92 EPHX2 (0.37) EPHX2PPARGL3MBTL1TRPV1KMT2A
SCHEMBL1903627 0.92 L3MBTL1 (0.40) EPHX2PPARGL3MBTL1TRPV1KMT2A
SCHEMBL1903819 0.92 L3MBTL1 (0.40) EPHX2PPARGL3MBTL1TRPV1KMT2A
SCHEMBL6903100 0.92 L3MBTL1 (0.40) EPHX2PPARGL3MBTL1TRPV1KMT2A
SCHEMBL6901696 0.90 EPHX2 (0.36) EPHX2PPARGL3MBTL1DHODHTRPV1
SCHEMBL6903231 0.89 LMNA (0.39) EPHX2PPARGL3MBTL1DHODHKMT2A
SCHEMBL1930817 0.89 SMN1; SMN2 (0.38) PPARGL3MBTL1TRPV1KMT2AALDH1A1
SCHEMBL1931255 0.88 FFAR2 (0.37) EPHX2PPARGDHODHSMN1; SMN2

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 6 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-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 EPHX2 2324/4885PPARG 15/4885L3MBTL1 2594/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH EPHX2 2324/4885PPARG 15/4885L3MBTL1 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.