SCHEMBL3680690

SCHEMBL3680690

O=C(ON1C(=O)CCC1=O)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
DAO P14920 1/20 0.46
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.45
GSK3B P49841 2/20 0.45
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL13857524 0.91 CES2 (0.39) CES2CES1DAOHPGDPOLB
SCHEMBL3685299 0.83 MGLL (0.34) HPGDPOLBNPC1RAB9AKMT2A
SCHEMBL3685296 0.77 ALDH1A1 (0.52) HPGDPOLBNPC1RAB9AKMT2A
SCHEMBL13857516 0.76 ALDH1A1 (0.51) HPGDPOLBNPC1RAB9AKMT2A
SCHEMBL13857523 0.76 ALDH1A1 (0.51) HPGDPOLBNPC1RAB9AKMT2A
SCHEMBL10456409 0.75 NPC1 (0.46) CES2CES1DAOHPGDPOLB
SCHEMBL13857528 0.73 PKM (0.42) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL7651777 0.73 CES2 (0.64) CES2CES1DAOHPGDPOLB
SCHEMBL22046612 0.72 CA12 (0.35) HPGDPOLBNPC1RAB9AHTT
SCHEMBL3685351 0.72 MGLL (0.36) NPC1RAB9A

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 5 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
US-20090137789-A1 Oligonucleotide Probes CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2009-05-28 US disclosed
US-20090137789-A1 Oligonucleotide Probes CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2009-05-28 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 (2 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 CES2 240/4885CES1 69/4885DAO 2881/4885
US-20090137789-A1 Oligonucleotide Probes NCL, RNGTT, NSUN3 CES2 3552/4885CES1 3792/4885DAO 1757/4885

“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.