SCHEMBL3687565

SCHEMBL3687565

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRAT P43155 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC1 Q13547 2/20 0.48
CTRB1 P17538 2/20 0.47
CTSG P08311 1/20 0.47
HPGD P15428 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
CPT2 P23786 2/20 0.42
CPT1A P50416 2/20 0.42
CPT1B Q92523 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 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
SCHEMBL3687568 1.00 CRAT (0.50) CRATKMT2AMEN1HTTSMN1; SMN2
SCHEMBL13409974 0.90 KMT2A (0.51) KMT2AMEN1HTTSMN1; SMN2HDAC1
SCHEMBL10414822 0.90 CRAT (0.58) CRATCTRB1CTSGHPGDCPT2
SCHEMBL10414824 0.90 CRAT (0.58) CRATCTRB1CTSGHPGDCPT2
SCHEMBL3686493 0.89 CRAT (0.47) CRATKMT2AMEN1HTTSMN1; SMN2
SCHEMBL3686496 0.89 CRAT (0.47) CRATKMT2AMEN1HTTSMN1; SMN2
SCHEMBL3694531 0.85 CRAT (0.45) CRATHTTSMN1; SMN2HPGDCPT2
SCHEMBL3694527 0.85 CRAT (0.45) CRATHTTSMN1; SMN2HPGDCPT2
SCHEMBL3679669 0.84 CPT2 (0.57) CPT2CPT1ACPT1B
SCHEMBL3679668 0.84 CPT2 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO claimed
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 5/4885KMT2A 662/4885MEN1 3665/4885

“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.