SCHEMBL13444026

SCHEMBL13444026

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ GAA P10253 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CTSF Q9UBX1 1/20 0.47
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ HPGD P15428 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL3686098 0.90 HDAC1 (0.52) HDAC1ALDH1A1KDM4EGAALMNA
SCHEMBL13444577 0.85 HPGDS (0.55) HDAC1ALDH1A1KDM4EMAPTCTSB
SCHEMBL3681123 0.81 ALDH1A1 (0.46) HDAC1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL3681125 0.81 ALDH1A1 (0.46) HDAC1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL14070421 0.76 HDAC1 (0.51) HDAC1ALDH1A1KDM4EGAALMNA
SCHEMBL14070155 0.75 S1PR2 (0.46) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL13444028 0.75 CASP3 (0.43) HDAC1L3MBTL1NPC1RAB9AHPGD
SCHEMBL8328245 0.74 HDAC1 (0.76) HDAC1ALDH1A1KDM4EGAALMNA
SCHEMBL14823034 0.74 ALDH1A1 (0.40) HDAC1ALDH1A1KMT2APOLBHPGDS
Trifluoroacetic Acid SCHEMBL3680892 0.73 ALDH1A1 (0.40) 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 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 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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