SCHEMBL3686891

SCHEMBL3686891

CCCCCc1ccc(C#Cc2ccc(C(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 3/20 0.45
CPT1A P50416 3/20 0.45
CPT1B Q92523 3/20 0.45
CRAT P43155 1/20 0.39

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
SCHEMBL3686893 1.00 CPT2 (0.45) CPT2CPT1ACPT1BCRAT
SCHEMBL13410033 0.91 S1PR1 (0.42)
Trifluoroacetic Acid SCHEMBL3687520 0.89 S1PR2 (0.37) CPT2CPT1ACPT1B
Trifluoroacetic Acid SCHEMBL3687516 0.89 S1PR2 (0.37) CPT2CPT1ACPT1B
SCHEMBL3683754 0.86 ALDH1A1 (0.49) CPT2CPT1ACPT1BCRAT
SCHEMBL3683757 0.86 ALDH1A1 (0.49) CPT2CPT1ACPT1BCRAT
SCHEMBL3690234 0.85 CPT2 (0.44) CPT2CPT1ACPT1BCRAT
SCHEMBL3690230 0.85 CPT2 (0.44) CPT2CPT1ACPT1BCRAT
SCHEMBL3687517 0.84 ACACB (0.35) CPT2CPT1ACPT1B
SCHEMBL3689736 0.84 POLB (0.49) CPT2CPT1ACPT1BCRAT

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-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
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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-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.