SCHEMBL17976780

SCHEMBL17976780

CCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](COP(=O)(OC)OC)NC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 4/20 0.35
▸ S1PR1 P21453 5/20 0.31
▸ S1PR3 Q99500 5/20 0.31
▸ S1PR2 O95136 4/20 0.31
▸ S1PR5 Q9H228 3/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ PLA2G4A P47712 2/20 0.30

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
SCHEMBL17976777 0.90 S1PR1 (0.40) S1PR1S1PR3S1PR2S1PR5PLA2G4A
SCHEMBL17972403 0.88 PLA2G2A (0.45) PLA2G2APLA2G4A
SCHEMBL15948704 0.88 EPHX1 (0.35) PLA2G2AEPHX1
SCHEMBL15948706 0.82 EPHX1 (0.37) EPHX1
SCHEMBL20830062 0.82 — —
SCHEMBL17972404 0.78 PLA2G2A (0.44) PLA2G2AS1PR1S1PR3S1PR2S1PR5
SCHEMBL15948786 0.76 CTSK (0.37) —
SCHEMBL20830178 0.71 PGD (0.36) S1PR1S1PR3S1PR2S1PR5
SCHEMBL17174995 0.70 CNR1 (0.36) PLA2G2A
SCHEMBL17174997 0.69 DAGLA (0.37) PLA2G2A

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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 — — 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP PLA2G2A 1701/4885S1PR1 1296/4885S1PR3 1462/4885

“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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