Sugi Predict

Sugi Predict / Compounds / SCHEMBL5528246

SCHEMBL5528246

SCHEMBL5528246

N#CCNC(=O)C(CSCc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 11/20 0.56
▸ CTSS P25774 9/20 0.56
▸ CTSK P43235 7/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MCOLN3 Q8TDD5 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ PTBP1 P26599 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CTSB P07858 10/20 0.54
▸ ACE P12821 1/20 0.53
▸ PPARG P37231 1/20 0.50
▸ PPARA Q07869 1/20 0.50

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
SCHEMBL5528251 1.00 CTSL (0.56) CTSLCTSSCTSKMEN1MAPT
SCHEMBL5529183 0.89 CTSL (0.56) CTSLCTSSCTSKMEN1MAPT
SCHEMBL5529177 0.89 CTSL (0.56) CTSLCTSSCTSKMEN1MAPT
SCHEMBL5524107 0.88 CTSL (0.71) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5524111 0.88 CTSL (0.71) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6739745 0.86 CTSL (0.62) CTSLCTSSCTSKLMNACTSB
SCHEMBL6739749 0.86 CTSL (0.62) CTSLCTSSCTSKLMNACTSB
SCHEMBL5526995 0.85 CTSL (0.61) CTSLCTSSCTSKCTSBACE
SCHEMBL5526998 0.85 CTSL (0.61) CTSLCTSSCTSKCTSBACE
SCHEMBL5529155 0.85 CTSL (0.61) CTSLCTSSCTSKCTSBACE

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 — — US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 — — US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — US 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885

“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.