SCHEMBL3679518

SCHEMBL3679518

CCCCCCCCCCCCN([C@H](CC(=O)[O-])C[N+](C)(C)C)S(=O)(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.42
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
CPT2 P23786 2/20 0.40
CPT1A P50416 2/20 0.40
CPT1B Q92523 2/20 0.40
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40

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
SCHEMBL3679523 1.00 GHSR (0.42) GHSRLIMK1LIMK2ADRB2ADRB1
SCHEMBL3692200 0.82 CPT2 (0.46) CPT2CPT1ACPT1B
SCHEMBL3692203 0.82 CPT2 (0.46) CPT2CPT1ACPT1B
SCHEMBL3679658 0.77 CPT2 (0.57) CPT2CPT1ACPT1B
SCHEMBL3679660 0.77 CPT2 (0.57) CPT2CPT1ACPT1B
SCHEMBL3685021 0.76 HPGD (0.50) GHSR
SCHEMBL3685024 0.76 HPGD (0.50) GHSR
SCHEMBL3679522 0.74 CPT2 (0.46) CPT2CPT1ACPT1B
SCHEMBL3685627 0.71 CPT2 (0.37) CPT2CPT1ACPT1B
SCHEMBL3685629 0.71 CPT2 (0.37) CPT2CPT1ACPT1B

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 GHSR 3859/4885LIMK1 4056/4885LIMK2 3823/4885

“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.