SCHEMBL3679268

SCHEMBL3679268

CC(=O)Nc1ccc(C(=O)NC(CC(=O)[O-])C[N+](C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRAT P43155 1/20 0.58
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ CPT2 P23786 2/20 0.43
▸ CPT1A P50416 2/20 0.43
▸ CPT1B Q92523 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 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
SCHEMBL3679267 1.00 CRAT (0.58) CRATKMT2AMEN1ALDH1A1TP53
SCHEMBL13409963 0.88 KMT2A (0.49) CRATKMT2AMEN1ALDH1A1TP53
SCHEMBL10414822 0.82 CRAT (0.58) CRATALDH1A1CPT2CPT1ACPT1B
SCHEMBL10414824 0.82 CRAT (0.58) CRATALDH1A1CPT2CPT1ACPT1B
SCHEMBL3678936 0.81 KDM4E (0.48) CRATKMT2AMEN1ALDH1A1CPT2
SCHEMBL3678934 0.81 KDM4E (0.48) CRATKMT2AMEN1ALDH1A1CPT2
SCHEMBL3687565 0.79 CRAT (0.50) CRATKMT2AMEN1CPT2CPT1A
SCHEMBL3687568 0.79 CRAT (0.50) CRATKMT2AMEN1CPT2CPT1A
SCHEMBL3687172 0.78 CRAT (0.49) CRAT
SCHEMBL3687169 0.78 CRAT (0.49) CRAT

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.

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