SCHEMBL3680338

SCHEMBL3680338

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.46
CRAT P43155 1/20 0.46
CPT2 P23786 2/20 0.44
CPT1A P50416 2/20 0.44
CPT1B Q92523 2/20 0.44
PTGES O14684 2/20 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
SCHEMBL3680337 1.00 ACACB (0.46) ACACBCRATCPT2CPT1ACPT1B
SCHEMBL13409957 0.91 ACACB (0.47) ACACBPTGES
SCHEMBL3687172 0.90 CRAT (0.49) CRAT
SCHEMBL3687169 0.90 CRAT (0.49) CRAT
SCHEMBL10414824 0.85 CRAT (0.58) CRATCPT2CPT1ACPT1B
SCHEMBL10414822 0.85 CRAT (0.58) CRATCPT2CPT1ACPT1B
SCHEMBL3686496 0.83 CRAT (0.47) CRATCPT2CPT1ACPT1B
SCHEMBL3686493 0.83 CRAT (0.47) CRATCPT2CPT1ACPT1B
SCHEMBL4787426 0.81 PTPN11 (0.45) CRATCPT2CPT1ACPT1BPTGES
SCHEMBL3680827 0.80 CRAT (0.44) CRATCPT2CPT1ACPT1B

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 ACACB 50/4885CRAT 5/4885CPT2 3/4885

“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.