Sugi Predict

Sugi Predict / Compounds / SCHEMBL4043733

SCHEMBL4043733

SCHEMBL4043733

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(F)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.51
▸ USP30 Q70CQ3 6/20 0.43
▸ CTSS P25774 1/20 0.40
▸ MC4R P32245 3/20 0.39
▸ MC3R P41968 3/20 0.39
▸ MC1R Q01726 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ITGB3 P05106 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ ITGB5 P18084 1/20 0.35

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
SCHEMBL4043052 0.94 CTSK (0.52) CTSKUSP30CTSSALDH1A1HTT
SCHEMBL6211121 0.92 CTSK (0.43) CTSKUSP30MC4RMC3RMC1R
SCHEMBL4039691 0.92 CTSK (0.50) CTSKUSP30CTSSALDH1A1HTT
SCHEMBL4040859 0.90 CTSK (0.53) CTSKUSP30CTSS
SCHEMBL4039586 0.89 CTSK (0.65) CTSKCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL4038140 0.89 CTSK (0.50) CTSKUSP30CTSSALDH1A1HTT
SCHEMBL4039999 0.89 CTSK (0.54) CTSKUSP30CTSSALDH1A1HTT
SCHEMBL4040241 0.89 CTSK (0.54) CTSKUSP30CTSSALDH1A1HTT
SCHEMBL4038989 0.88 CTSK (0.51) CTSKUSP30CTSSMC4RMC3R
SCHEMBL3951683 0.88 CTSK (0.49) CTSKUSP30CTSSMC4RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 — — US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 — — EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 — — WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 — — US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 — — EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 — — 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885USP30 2688/4885CTSS 3/4885

“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.