SCHEMBL3686098

SCHEMBL3686098

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2cccs2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CRAT P43155 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CTSF Q9UBX1 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NFKB1 P19838 1/20 0.43

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
SCHEMBL13444026 0.90 HDAC1 (0.53) HDAC1ALDH1A1KDM4EGAALMNA
SCHEMBL3682616 0.75 CRAT (0.44) HDAC1LMNACRATNPC1RAB9A
SCHEMBL3682615 0.75 CRAT (0.44) HDAC1LMNACRATNPC1RAB9A
SCHEMBL3680825 0.75 CRAT (0.44) HDAC1ALDH1A1CRATKMT2ACPT2
SCHEMBL3680827 0.75 CRAT (0.44) HDAC1ALDH1A1CRATKMT2ACPT2
SCHEMBL3689207 0.75 CRAT (0.44) HDAC1L3MBTL1CRATNPC1RAB9A
SCHEMBL3689202 0.75 CRAT (0.44) HDAC1L3MBTL1CRATNPC1RAB9A
SCHEMBL13444577 0.74 HPGDS (0.55) HDAC1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8328245 0.73 HDAC1 (0.76) HDAC1ALDH1A1KDM4EGAALMNA
SCHEMBL14070421 0.72 HDAC1 (0.51) HDAC1ALDH1A1KDM4EGAALMNA

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 HDAC1 42/4885ALDH1A1 236/4885KDM4E 1405/4885

“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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