SCHEMBL17601686

SCHEMBL17601686

COC(=O)C(C)COc1ccc(C(C)=NOCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.53
MAOB P27338 3/20 0.52
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
SLC6A5 Q9Y345 2/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL17601685 1.00 S1PR1 (0.53) S1PR1MAOBPPARAPPARGSLC6A5
SCHEMBL17601727 0.90 S1PR1 (0.53) S1PR1MAOBPPARAPPARGSLC6A5
SCHEMBL17601726 0.90 S1PR1 (0.53) S1PR1MAOBPPARAPPARGSLC6A5
SCHEMBL16914932 0.83 S1PR1 (0.55) S1PR1MAOBPPARAPPARGMME
SCHEMBL17601782 0.83 S1PR1 (0.55) S1PR1MAOBPPARAPPARGMME
SCHEMBL17601744 0.82 MAOB (0.53) S1PR1MAOBPPARAPPARGSLC6A5
SCHEMBL16915155 0.82 MAOB (0.53) S1PR1MAOBPPARAPPARGSLC6A5
SCHEMBL16269797 0.82 MAOB (0.55) S1PR1MAOBPPARAPPARGSLC6A5
SCHEMBL16269794 0.82 MAOB (0.55) S1PR1MAOBPPARAPPARGSLC6A5
SCHEMBL16379337 0.82 ALDH1A1 (0.50) MAOBPPARA

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 1228/4885MAOB 220/4885PPARA 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.