SCHEMBL3679655

SCHEMBL3679655

CCCCCCOc1cccc(OCCCCCN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.63
CPT1A P50416 2/20 0.63
CPT1B Q92523 2/20 0.63
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
SMPD1 P17405 3/20 0.41

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
SCHEMBL13410025 0.92 CPT2 (0.52) CPT2CPT1ACPT1BTHRATHRB
SCHEMBL3692201 0.85 CPT2 (0.54) CPT2CPT1ACPT1B
SCHEMBL3688617 0.83 CPT2 (0.70) CPT2CPT1ACPT1BTHRATHRB
SCHEMBL3688614 0.83 CPT2 (0.70) CPT2CPT1ACPT1BTHRATHRB
SCHEMBL4787986 0.82 CPT2 (0.66) CPT2CPT1ACPT1B
SCHEMBL14823062 0.82 PLA2G4B (0.47) CPT2CPT1ACPT1BTHRATHRB
SCHEMBL3679658 0.81 CPT2 (0.57) CPT2CPT1ACPT1BTHRATHRB
SCHEMBL3679660 0.81 CPT2 (0.57) CPT2CPT1ACPT1BTHRATHRB
SCHEMBL3041187 0.79 CPT2 (0.75) CPT2CPT1ACPT1BSMPD1
SCHEMBL3677867 0.77 CPT2 (0.72) CPT2CPT1ACPT1BSMPD1

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.