SCHEMBL13444577

SCHEMBL13444577

C[N+](C)(C)C[C@@H](CC(=O)O)NC(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 7/20 0.55
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ TP53 P04637 3/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ ERCC5 P28715 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ MEN1 O00255 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
SCHEMBL14070155 0.85 S1PR2 (0.46) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL13444026 0.85 HDAC1 (0.53) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL3681125 0.81 ALDH1A1 (0.46) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL3681123 0.81 ALDH1A1 (0.46) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL13444028 0.80 CASP3 (0.43) RAB9ANPC1HPGDHDAC1SMN1; SMN2
SCHEMBL14823034 0.79 ALDH1A1 (0.40) HPGDSALDH1A1HDAC1POLBKMT2A
SCHEMBL14069885 0.78 NPC1 (0.51) HPGDSRAB9ANPC1ALDH1A1RXFP1
SCHEMBL13443949 0.78 HDAC8 (0.49) —
SCHEMBL14070428 0.76 MMP13 (0.46) —
SCHEMBL3686098 0.74 HDAC1 (0.52) RAB9ANPC1KDM4EALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGDS 2493/4885RAB9A 3687/4885NPC1 70/4885

“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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