SCHEMBL13410038

SCHEMBL13410038

CCCCCCOc1cccc(C#Cc2ccc(C(=O)N[C@H](CC(=O)O)C[N+](C)(C)C)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 1/20 0.50
▸ CPT1A P50416 1/20 0.50
▸ CPT1B Q92523 1/20 0.50
▸ ACACB O00763 1/20 0.42
▸ FFAR1 O14842 2/20 0.41
▸ PLA2G4B P0C869 5/20 0.41
▸ SMPD1 P17405 3/20 0.40
▸ SUCNR1 Q9BXA5 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
SCHEMBL3681659 0.93 CPT2 (0.60) CPT2CPT1ACPT1BACACBFFAR1
SCHEMBL3681655 0.93 CPT2 (0.60) CPT2CPT1ACPT1BACACBFFAR1
SCHEMBL14069946 0.83 CPT2 (0.53) CPT2CPT1ACPT1BSMPD1SUCNR1
SCHEMBL13409928 0.83 ALDH1A1 (0.51) ACACBFFAR1
SCHEMBL13410033 0.82 S1PR1 (0.42) ACACBFFAR1
SCHEMBL13410041 0.81 CPT2 (0.51) CPT2CPT1ACPT1BPLA2G4B
SCHEMBL13409929 0.78 POLB (0.53) CPT2CPT1ACPT1BFFAR1SUCNR1
SCHEMBL4749052 0.77 S1PR2 (0.36) CPT2CPT1ACPT1BFFAR1
SCHEMBL4749043 0.77 S1PR2 (0.36) CPT2CPT1ACPT1BFFAR1
Trifluoroacetic Acid SCHEMBL3687516 0.77 S1PR2 (0.37) CPT2CPT1ACPT1BACACBFFAR1

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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