SCHEMBL3689202

SCHEMBL3689202

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)c1ccc(CCc2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRAT P43155 1/20 0.44
▸ CASP3 P42574 1/20 0.38
▸ CPT2 P23786 4/20 0.38
▸ CPT1A P50416 4/20 0.38
▸ CPT1B Q92523 3/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL3689207 1.00 CRAT (0.44) CRATCASP3CPT2CPT1ACPT1B
SCHEMBL13444028 0.91 CASP3 (0.43) CASP3ITGB3ITGAVITGA2BNPC1
SCHEMBL3687568 0.82 CRAT (0.50) CRATCPT2CPT1ACPT1BSMN1; SMN2
SCHEMBL3687565 0.82 CRAT (0.50) CRATCPT2CPT1ACPT1BSMN1; SMN2
SCHEMBL13410019 0.80 S1PR1 (0.46) CASP3CPT2CPT1ACPT1BITGB3
SCHEMBL3694527 0.79 CRAT (0.45) CRATCPT2CPT1ACPT1BSMN1; SMN2
SCHEMBL3694531 0.79 CRAT (0.45) CRATCPT2CPT1ACPT1BSMN1; SMN2
SCHEMBL13410017 0.79 CASP3 (0.34) CASP3ITGB3ITGAVITGA2BTAS1R3
SCHEMBL3686493 0.79 CRAT (0.47) CRATCPT2CPT1ACPT1BNPC1
SCHEMBL3686496 0.79 CRAT (0.47) CRATCPT2CPT1ACPT1BNPC1

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 CRAT 5/4885CASP3 2249/4885CPT2 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.

Send feedback