SCHEMBL979060

SCHEMBL979060

CCCCCCCCCCc1ccc(C(=O)NC2(CC(=O)OC(=O)C(F)(F)F)CC[N+](C)(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 9/20 0.46
▸ SPHK2 Q9NRA0 2/20 0.46
▸ FAAH O00519 1/20 0.39
▸ PLK1 P53350 5/20 0.38
▸ PLK3 Q9H4B4 2/20 0.38
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL977608 0.88 EPHX1 (0.41) SPHK1FAAHTHRATHRB
Iodide SCHEMBL982259 0.85 SPHK1 (0.49) SPHK1SPHK2PLK1PLK3
Trifluoroacetic Acid SCHEMBL979059 0.85 SPHK1 (0.47) SPHK1SPHK2FAAHPLK1PLK3
SCHEMBL12923357 0.84 SPHK1 (0.54) SPHK1SPHK2PLK1PLK3
SCHEMBL15590092 0.83 FAAH (0.36) FAAH
SCHEMBL978910 0.83 EPHX1 (0.41) SPHK1FAAHTHRATHRB
SCHEMBL979586 0.82 S1PR1 (0.43) SPHK1FAAHTHRATHRB
SCHEMBL977801 0.82 SPHK1 (0.46) SPHK1SPHK2FAAHPLK1PLK3
SCHEMBL979866 0.80 EPHX1 (0.43) SPHK1FAAHTHRATHRB
SCHEMBL979818 0.79 FAAH (0.37) FAAH

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-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 SPHK1 186/4885SPHK2 310/4885FAAH 928/4885

“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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