SCHEMBL4575587

SCHEMBL4575587

COc1ccc(C(C)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DGAT2 Q96PD7 1/20 0.53
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
KMT2A Q03164 2/20 0.51
VNN1 O95497 1/20 0.51
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL12864485 0.83 EPHX2 (0.59) EPHX2NR1H4
SCHEMBL5321683 0.78 BACE1 (0.73) SMN1; SMN2DGAT2KMT2AMEN1
SCHEMBL5321691 0.78 BACE1 (0.73) SMN1; SMN2DGAT2KMT2AMEN1
SCHEMBL27859550 0.77 EPHX2 (0.62) SMN1; SMN2EPHX2NR1H4VNN1
SCHEMBL12757447 0.76 ALDH1A1 (0.62) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29183458 0.76 EPHX2 (0.54) SMN1; SMN2EPHX2NR1H4
SCHEMBL4575623 0.75 BCHE (0.50) GAAALDH1A1KMT2AVNN1MEN1
SCHEMBL3966634 0.75 EPHX2 (0.63) ALDH1A1RAB9ASMN1; SMN2EPHX2NR1H4
SCHEMBL29699722 0.75 ALDH1A1 (0.60) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12809804 0.75 ALDH1A1 (0.55) GAAALDH1A1EPHX2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD GAA 427/4885ALDH1A1 645/4885NPC1 400/4885

“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.