SCHEMBL13410032

SCHEMBL13410032

C[N+](C)(C)C[C@@H](CC(=O)O)NC(=O)c1ccc(Br)o1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
ALDH1A1 P00352 9/20 0.51
HPGD P15428 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL3693628 0.88 TAS1R3 (0.58) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3693632 0.88 TAS1R3 (0.58) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14823020 0.85 TAS1R3 (0.68) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14070554 0.81 SUCNR1 (0.52) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL13444465 0.79 HPGD (0.43) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL13409928 0.77 ALDH1A1 (0.51) TAS1R3TAS1R1ALDH1A1HPGDPOLB
SCHEMBL17822172 0.77 TAS1R3 (0.77) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL13409966 0.77 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL14069943 0.77 S1PR4 (0.49) TAS1R3TAS1R1
SCHEMBL13444646 0.77 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A

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 TAS1R3 4074/4885TAS1R1 3458/4885ALDH1A1 236/4885

“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.