SCHEMBL3682901

SCHEMBL3682901

CCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 3/20 0.53
CPT1A P50416 3/20 0.53
CPT1B Q92523 3/20 0.53
PLK1 P53350 1/20 0.52
TAS1R3 Q7RTX0 3/20 0.51
TAS1R1 Q7RTX1 3/20 0.51
CRAT P43155 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL3682905 1.00 CPT2 (0.53) CPT2CPT1ACPT1BPLK1TAS1R3
SCHEMBL13409926 0.89 PLK1 (0.53) PLK1TAS1R3TAS1R1L3MBTL1MAPT
SCHEMBL14070367 0.87 PLK1 (0.51) PLK1TAS1R3TAS1R1L3MBTL1MAPT
SCHEMBL13409973 0.81 PPARG (0.60) CPT2CPT1ACPT1BPLK1TAS1R3
SCHEMBL10414822 0.79 CRAT (0.58) CPT2CPT1ACPT1BCRAT
SCHEMBL10414824 0.79 CRAT (0.58) CPT2CPT1ACPT1BCRAT
SCHEMBL3677864 0.79 CPT2 (0.72) CPT2CPT1ACPT1B
SCHEMBL3677867 0.79 CPT2 (0.72) CPT2CPT1ACPT1B
Trifluoroacetic Acid SCHEMBL3690941 0.79 PPARG (0.52) CPT2CPT1ACPT1BPLK1PPARG
Trifluoroacetic Acid SCHEMBL3690945 0.79 PPARG (0.52) CPT2CPT1ACPT1BPLK1PPARG

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.