SCHEMBL17601803

SCHEMBL17601803

CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.60
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
MAOB P27338 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 2/20 0.47
NQO2 P16083 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 1/20 0.44
PTBP1 P26599 1/20 0.44
IDO1 P14902 2/20 0.44
KIF11 P52732 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL17601801 1.00 S1PR1 (0.60) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL4726495 0.85 S1PR1 (0.66) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL16269783 0.82 MAOB (0.60) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL16269703 0.82 MAOB (0.53) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL16269498 0.82 MAOB (0.60) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL17601809 0.81 MAOB (0.52) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL17601807 0.81 MAOB (0.52) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL16914929 0.81 MAOB (0.52) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL17601795 0.81 S1PR1 (0.61) S1PR1PPARGPPARAMAOBSMN1; SMN2
SCHEMBL16915177 0.81 MAOB (0.52) S1PR1PPARGPPARAMAOBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083380-A1 OXIMINO DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2016-03-24 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-20160083380-A1 OXIMINO DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA OAT, CYP11B2, CYP11B1 S1PR1 1228/4885PPARG 389/4885PPARA 422/4885

“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.