Sugi Predict

Sugi Predict / Compounds / SCHEMBL4045332

SCHEMBL4045332

SCHEMBL4045332

CCCC(NC(=O)c1ccc(OC)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.43
▸ KDM1A O60341 2/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ CCR1 P32246 2/20 0.37
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTSS P25774 4/20 0.34
▸ CTSL P07711 3/20 0.34
▸ CTSV O60911 2/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ CA2 P00918 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ CHRM5 P08912 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
SCHEMBL4044159 0.94 CTSK (0.44) CTSKKDM1ACCR1MMP2CTSS
SCHEMBL4041521 0.92 CTSK (0.42) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4040854 0.92 CTSK (0.52) CTSKCCR1CTSSCTSL
SCHEMBL4037229 0.92 CTSK (0.45) CTSKCCR1CTSSCTSLCTSV
SCHEMBL6237568 0.92 CTSK (0.46) CTSKKDM1ACCR1CTSSCTSL
SCHEMBL4043946 0.92 CTSK (0.43) CTSKCCR1MMP2MMP13CTSS
SCHEMBL4048667 0.91 CTSK (0.54) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4041084 0.91 CTSK (0.45) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4038835 0.90 CTSK (0.47) CTSKKDM1ACCR1CTSSCTSL
SCHEMBL4043438 0.90 CTSK (0.55) CTSKKDM1ACCR1CTSSCTSL

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 2/4885KDM1A 3980/4885TAS1R3 2219/4885

“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.