SCHEMBL978999

SCHEMBL978999

CCCCCCCCCCc1ccc(C(=O)NC2(CC(=O)OCC)CCN(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 9/20 0.43
▸ SPHK2 Q9NRA0 2/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PLK1 P53350 4/20 0.41
▸ PLK3 Q9H4B4 4/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL979549 0.89 S1PR1 (0.39) SPHK1
SCHEMBL979832 0.84 LMNA (0.45) ALDH1A1L3MBTL1
SCHEMBL979605 0.83 SPHK1 (0.50) SPHK1SPHK2PLK1PLK3
SCHEMBL34475170 0.80 TMEM97 (0.48) ALDH1A1L3MBTL1
SCHEMBL15775037 0.78 TMEM97 (0.41) CNR2ALDH1A1
SCHEMBL981221 0.75 SPHK1 (0.51) SPHK1SPHK2PLK1PLK3
SCHEMBL977493 0.75 S1PR1 (0.44) SPHK1
SCHEMBL12923356 0.73 SPHK1 (0.54) SPHK1SPHK2PLK1PLK3ALDH1A1
Iodide SCHEMBL982259 0.73 SPHK1 (0.49) SPHK1SPHK2PLK1PLK3
SCHEMBL978529 0.73 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1

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 SPHK1 186/4885SPHK2 310/4885HDAC1 24/4885

“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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