SCHEMBL13409935

SCHEMBL13409935

C[N+](C)(C)C[C@@H](CC(=O)O)NC(=O)Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ FFAR1 O14842 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ EPHX2 P34913 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
Acetic Acid SCHEMBL3691177 0.95 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDSMN1; SMN2HTT
Acetic Acid SCHEMBL3691173 0.95 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDSMN1; SMN2HTT
SCHEMBL13409936 0.87 ROCK2 (0.47) ALDH1A1RAB9ASMN1; SMN2HTTNPC1
SCHEMBL3691175 0.86 ALDH1A1 (0.45) ALDH1A1RAB9AHPGDSMN1; SMN2HTT
SCHEMBL14822898 0.86 ALDH1A1 (0.58) ALDH1A1RAB9AHPGDSMN1; SMN2HTT
Acetic Acid SCHEMBL3683756 0.83 ROCK2 (0.44) ALDH1A1RAB9ASMN1; SMN2HTTNPC1
Acetic Acid SCHEMBL3683761 0.83 ROCK2 (0.44) ALDH1A1RAB9ASMN1; SMN2HTTNPC1
SCHEMBL13409933 0.80 LTA4H (0.57) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
Acetic Acid SCHEMBL3681912 0.78 LTA4H (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13410007 0.77 MEN1 (0.44) MEN1KMT2AMAPTITGB3

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 ALDH1A1 236/4885RAB9A 3687/4885HPGD 691/4885

“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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