SCHEMBL5099773

SCHEMBL5099773

CCOC(=O)c1cc(Br)cc(N2CCCC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX5 P09917 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 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
SCHEMBL5853381 0.88 CYP2C19 (0.55) PKMHSD17B10ALOX5NPC1RAB9A
SCHEMBL5217876 0.86 MEN1 (0.50) PKMNPC1RAB9AHPGDALDH1A1
SCHEMBL6185617 0.83 ALDH1A1 (0.61) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL5221028 0.83 ALDH1A1 (0.46) PKMNPC1RAB9ARXFP1HPGD
SCHEMBL5220859 0.83 PKM (0.47) PKMHSD17B10ALOX5NPC1RAB9A
SCHEMBL4196712 0.82 PKM (0.67) PKMHSD17B10NPC1RAB9ARXFP1
SCHEMBL6187498 0.81 ALDH1A1 (0.58) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL5219080 0.80 HPGD (0.42) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL14686859 0.78 PKM (0.63) PKMHSD17B10NPC1RAB9ARXFP1
SCHEMBL25236156 0.77 PKM (0.62) PKMHSD17B10NPC1RAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1556330-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004039753-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-13 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-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 PKM 831/4885HSD17B10 3180/4885ALOX5 2348/4885

“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.