SCHEMBL4757609

SCHEMBL4757609

Cc1cccc(OC(=O)c2cc(B(O)O)cc([N+](=O)[O-])c2)c1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.79
MAPT P10636 5/20 0.49
PTGES O14684 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HGFAC Q04756 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
F2 P00734 1/20 0.43
TSHR P16473 1/20 0.42
ACHE P22303 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
SCHEMBL4625346 0.91 ALOX5 (0.64) ALOX5MAPTPTGESALDH1A1MEN1
SCHEMBL4626127 0.89 ALOX5 (0.61) ALOX5MAPTPTGESALDH1A1HGFAC
SCHEMBL4626136 0.89 ALOX5 (0.61) ALOX5MAPTPTGESALDH1A1MEN1
SCHEMBL13400268 0.89 ALOX5 (1.00) ALOX5MAPTPTGESALDH1A1MEN1
SCHEMBL4625128 0.86 ALOX5 (0.76) ALOX5MAPTPTGESALDH1A1MEN1
SCHEMBL4625149 0.85 ALOX5 (0.64) ALOX5MAPTPTGESALDH1A1KMT2A
SCHEMBL14586194 0.83 ALOX5 (0.57) ALOX5MAPTPTGESALDH1A1KMT2A
SCHEMBL8300126 0.83 ALOX5 (0.54) ALOX5MAPTPTGESALDH1A1MEN1
SCHEMBL4625145 0.82 ALOX5 (0.61) ALOX5MAPTPTGESALDH1A1KMT2A
SCHEMBL4625225 0.82 ALOX5 (0.58) ALOX5MAPTPTGESALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
EP-1635812-A2 BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 US disclosed
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed
WO-2005004799-A2 β-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-01-20 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-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof ACE, ACE2, CTRL ALOX5 1853/4885MAPT 1569/4885PTGES 3012/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA ALOX5 615/4885MAPT 2925/4885PTGES 2160/4885

“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.