SCHEMBL16124592

SCHEMBL16124592

CCCCc1ccc(OC(=O)C(N)C(C)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 5/20 0.53
▸ THRB P10828 3/20 0.50
▸ THRA P10827 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ S1PR2 O95136 2/20 0.42
▸ S1PR1 P21453 2/20 0.42
▸ RARB P10826 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41

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
SCHEMBL16124573 0.91 THRB (0.53) SPHK1THRBTHRAALDH1A1NPC1
SCHEMBL27999257 0.87 THRB (0.54) SPHK1THRBTHRAALDH1A1HPGD
SCHEMBL16124599 0.84 PPARA (0.48) SPHK1
SCHEMBL13417053 0.83 SPHK1 (0.40) SPHK1THRBTHRAPTGS2
SCHEMBL16124578 0.81 SPHK1 (0.52) SPHK1THRBTHRAALDH1A1HPGD
SCHEMBL13396529 0.81 SPHK1 (0.39) SPHK1PTGS2
SCHEMBL13416272 0.80 PTGS2 (0.40) SPHK1THRBNPC1RAB9ASMN1; SMN2
SCHEMBL17294884 0.79 THRB (0.55) THRBTHRAALDH1A1HPGDHSD17B10
SCHEMBL10664870 0.78 THRB (0.62) THRBTHRAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13396540 0.78 HTR2A (0.39) SPHK1PTGS2

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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 — — 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 SPHK1 2029/4885THRB 2051/4885THRA 3693/4885

“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.

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