SCHEMBL3688624

SCHEMBL3688624

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)Nc1cccc(Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 3/20 0.46
▸ CPT1A P50416 3/20 0.46
▸ CPT1B Q92523 3/20 0.46
▸ CRAT P43155 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ USP30 Q70CQ3 4/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ MTOR P42345 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
SCHEMBL3688621 1.00 CPT2 (0.46) CPT2CPT1ACPT1BCRATMEN1
SCHEMBL13410007 0.91 MEN1 (0.44) MEN1MAPTKMT2ASAE1UBA2
SCHEMBL3680702 0.83 CPT2 (0.52) CPT2CPT1ACPT1BCRATMEN1
SCHEMBL3680697 0.83 CPT2 (0.52) CPT2CPT1ACPT1BCRATMEN1
SCHEMBL20657450 0.82 KMT2A (0.45) CPT2CPT1ACPT1BCRATMEN1
SCHEMBL3690729 0.82 KMT2A (0.45) CPT2CPT1ACPT1BCRATMEN1
SCHEMBL3693612 0.79 CPT2 (0.45) CPT2CPT1ACPT1BCRATMAPT
SCHEMBL3693608 0.79 CPT2 (0.45) CPT2CPT1ACPT1BCRATMAPT
SCHEMBL3689478 0.77 MAPK1 (0.56) CPT2CPT1ACPT1BCRATCA12
SCHEMBL3689475 0.77 MAPK1 (0.56) CPT2CPT1ACPT1BCRATCA12

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 — — US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 — — 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 CPT2 3/4885CPT1A 1/4885CPT1B 2/4885

“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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