Sugi Predict

Sugi Predict / Compounds / SCHEMBL5848074

SCHEMBL5848074

SCHEMBL5848074

CC(C)(C)OC(=O)Nc1cc(B(O)OC(C)(C)C(C)(C)O)cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ MMP1 P03956 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ BCL2 P10415 2/20 0.35
▸ BECN1 Q14457 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL5846849 0.85 ALOX5 (0.44) SIRT2ALOX5MMP1MMP2MMP9
SCHEMBL10305757 0.80 SIRT2 (0.47) SIRT2ALOX5MMP1MMP2MMP9
SCHEMBL6530180 0.79 MAPT (0.33) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9893568 0.78 HDAC3 (0.42) SIRT2BCL2BECN1
SCHEMBL1991350 0.77 CYP17A1 (0.43) PRMT1DRD2
SCHEMBL13857793 0.76 TP53 (0.39) ALOX5MAPTSMN1; SMN2NPC1MEN1
SCHEMBL15156398 0.76 TSHR (0.47) SIRT2ALOX5MMP1MMP2MMP9
SCHEMBL15828841 0.76 ALOX5 (0.46) SIRT2ALOX5MMP1MMP2MMP9
SCHEMBL557225 0.75 MEN1 (0.38) ALOX5MAPTSMN1; SMN2LMNAMEN1
SCHEMBL5847402 0.74 ACP1 (0.53) SIRT2ALOX5MMP1MMP2MMP9

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-7119094-B1 Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade WARNER-LAMBERT COMPANY (US) 2006-10-10 — — US disclosed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 — — US disclosed
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 — — US disclosed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 — — EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 — — 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-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 SIRT2 1760/4885ALOX5 620/4885MMP1 389/4885

“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.