Sugi Predict

Sugi Predict / Compounds / SCHEMBL4655813

SCHEMBL4655813

SCHEMBL4655813

O=C(Oc1c(Cl)c(Cl)c(OC(=O)c2cc(B(O)O)cc([N+](=O)[O-])c2)c(Cl)c1Cl)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.47
▸ PTGES O14684 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL4625532 0.88 ALOX5 (0.44) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL5565836 0.88 ALOX5 (0.50) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL14586194 0.84 ALOX5 (0.57) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL5564489 0.84 ALOX5 (0.40) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL5560486 0.84 MAPT (0.46) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL4625149 0.83 ALOX5 (0.64) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL4624932 0.82 ALOX5 (0.49) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL5566606 0.81 ALOX5 (0.57) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL4625153 0.81 ALOX5 (0.64) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL4625145 0.81 ALOX5 (0.61) ALOX5PTGESGAAMAPTALDH1A1

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 7 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
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 — — EP disclosed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 — — 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

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-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof ACE, ACE2, CTRL ALOX5 1853/4885PTGES 3012/4885KDM4E 2334/4885

“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.