SCHEMBL979549

SCHEMBL979549

CCCCCCCCc1ccc(NC(=O)NC2(CC(=O)OCC)CCN(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ SPHK1 Q9NYA1 5/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA7 P43166 1/20 0.37

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
SCHEMBL978999 0.89 SPHK1 (0.43) SPHK1
SCHEMBL977493 0.87 S1PR1 (0.44) S1PR1CCKBREPHX1EPHX2NAMPT
SCHEMBL978582 0.84 S1PR1 (0.45) S1PR1EPHX1EPHX2KMT2ASPHK1
SCHEMBL980366 0.84 S1PR1 (0.47) S1PR1EPHX1EPHX2MAPTSPHK1
SCHEMBL979832 0.83 LMNA (0.45) CA1CA2CA9CA7
SCHEMBL979229 0.82 S1PR1 (0.47) S1PR1EPHX1EPHX2KMT2ASPHK1
SCHEMBL3939224 0.80 EPHX2 (0.42) S1PR1EPHX1EPHX2SPHK1CA1
SCHEMBL34475170 0.79 TMEM97 (0.48) KMT2A
SCHEMBL979925 0.77 EPHX2 (0.47) S1PR1EPHX1EPHX2SPHK1CA1
SCHEMBL15775037 0.77 TMEM97 (0.41) KMT2A

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 261/4885P2RY1 2860/4885CCKBR 3675/4885

“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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