Sugi Predict

Sugi Predict / Compounds / SCHEMBL4040095

SCHEMBL4040095

SCHEMBL4040095

CC(C)CC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.42
▸ CTSS P25774 4/20 0.42
▸ CTSL P07711 2/20 0.42
▸ GHSR Q92847 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ ST14 Q9Y5Y6 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32

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
SCHEMBL4039968 0.93 CTSK (0.41) CTSKCTSSCTSLF2F10
SCHEMBL4040924 0.93 CTSK (0.45) CTSKCTSSCTSLF2F10
SCHEMBL4040137 0.92 CTSK (0.40) CTSKCTSSCTSLCTSB
SCHEMBL4044324 0.90 CTSK (0.43) CTSKCTSSCTSLCTSBHSD17B10
SCHEMBL4043172 0.90 CTSK (0.41) CTSKCTSSCTSLCTSBHSD17B10
SCHEMBL4042001 0.89 CTSK (0.41) CTSKCTSSCTSLRORCCTSB
SCHEMBL5942066 0.88 CTSK (0.35) CTSKGHSRUSP30HSD17B10RXFP1
SCHEMBL4042709 0.88 CTSK (0.43) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL4040439 0.85 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL4041053 0.84 CTSK (0.44) CTSKCTSSCTSLCTSBCYP11B1

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-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
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 — — WO disclosed
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 2/4885CTSS 3/4885CTSL 57/4885

“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.