SCHEMBL979213

SCHEMBL979213

CCCCCCCCc1ccc(NC(=O)NC2(CC(=O)OC(=O)C(F)(F)F)CCN(C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ SPHK1 Q9NYA1 6/20 0.41
▸ S1PR4 O95977 6/20 0.40
▸ S1PR5 Q9H228 6/20 0.40
▸ S1PR3 Q99500 4/20 0.40
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ FAAH O00519 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
SCHEMBL977367 0.95 S1PR1 (0.42) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL977961 0.90 EPHX1 (0.41) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL979586 0.88 S1PR1 (0.43) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL982488 0.86 EPHX2 (0.44) S1PR1EPHX1EPHX2CA12CA1
Trifluoroacetic Acid SCHEMBL979212 0.86 S1PR1 (0.50) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL979229 0.86 S1PR1 (0.47) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL979866 0.85 EPHX1 (0.43) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL981689 0.84 FAAH (0.38) S1PR1CA12CA1CA2CA9
SCHEMBL977608 0.84 EPHX1 (0.41) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL12923299 0.84 S1PR1 (0.56) S1PR1EPHX1EPHX2CA12CA1

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 3 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
WO-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 — — WO 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 S1PR1 261/4885EPHX1 3878/4885EPHX2 4311/4885

“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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