SCHEMBL980366

SCHEMBL980366

CCCCCCCCc1ccc(NC(=O)NC2(CC(=O)OCC)CN(C(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.47
▸ EPHX1 P07099 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ THRA P10827 3/20 0.43
▸ THRB P10828 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SPHK1 Q9NYA1 7/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL3939224 0.88 EPHX2 (0.42) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL979925 0.85 EPHX2 (0.47) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL978582 0.85 S1PR1 (0.45) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL979229 0.84 S1PR1 (0.47) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL979549 0.84 S1PR1 (0.39) S1PR1EPHX1EPHX2CA12CA1
Iodide SCHEMBL979814 0.83 S1PR1 (0.46) S1PR1EPHX1EPHX2CA12CA1
Iodide SCHEMBL980182 0.83 EPHX2 (0.46) S1PR1EPHX1EPHX2CA12CA1
Iodide SCHEMBL978539 0.82 EPHX2 (0.43) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL980299 0.82 EPHX2 (0.44) S1PR1EPHX1EPHX2CA12CA1
SCHEMBL979271 0.79 AKT1 (0.47) CA12CA1CA2CA9ALDH1A1

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 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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