SCHEMBL3576146

SCHEMBL3576146

COc1ccc(Br)c(NC=C2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.74
HSD17B10 Q99714 4/20 0.74
CASP1 P29466 2/20 0.74
CASP7 P55210 2/20 0.74
MAPK1 P28482 1/20 0.62
HPGD P15428 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL10158686 0.85 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL9073375 0.83 ALDH1A1 (0.81) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL27032826 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL26993612 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL27238846 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL29744372 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL15367241 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL3059418 0.77 ALDH1A1 (0.72) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL5738983 0.77 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL3273745 0.77 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP1CASP7MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20060189604-A1 Compounds ELANE, PIGS, SDHA ALDH1A1 2290/4885HSD17B10 931/4885CASP1 67/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS ALDH1A1 2504/4885HSD17B10 1307/4885CASP1 29/4885

“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.