Sugi Predict

Sugi Predict / Compounds / SCHEMBL5518429

SCHEMBL5518429

SCHEMBL5518429

N#CCNC(=O)C(CNC(=O)c1ccncc1)SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 12/20 0.51
▸ CTSS P25774 8/20 0.51
▸ CTSV O60911 2/20 0.51
▸ CTSK P43235 4/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CTSB P07858 6/20 0.46
▸ ROCK2 O75116 1/20 0.43
▸ RPS6KA5 O75582 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PRKCG P05129 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PRKX P51817 1/20 0.43
▸ PRKCD Q05655 1/20 0.43
▸ PRKG2 Q13237 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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
SCHEMBL5524114 0.92 CTSL (0.56) CTSLCTSSCTSVCTSKCTSB
SCHEMBL5527501 0.88 CTSL (0.54) CTSLCTSSCTSVCTSKRAB9A
SCHEMBL5532200 0.87 CTSS (0.61) CTSLCTSSCTSVCTSKRAB9A
SCHEMBL5525939 0.87 CTSL (0.54) CTSLCTSSCTSVCTSKCTSB
SCHEMBL5529048 0.87 CTSL (0.52) CTSLCTSSCTSVCTSKCTSB
SCHEMBL5526844 0.86 CTSL (0.52) CTSLCTSSCTSKRAB9ACTSB
SCHEMBL6739752 0.85 LMNA (0.53) CTSLCTSSCTSVCTSKRAB9A
SCHEMBL5523613 0.84 CTSL (0.46) CTSLCTSSCTSVCTSKRAB9A
SCHEMBL5534170 0.84 L3MBTL1 (0.50) CTSLCTSSCTSKRAB9ACTSB
SCHEMBL5529158 0.84 CTSL (0.49) CTSLCTSSCTSVCTSKRAB9A

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 10/4885CTSV 40/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSV 40/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSV 40/4885

“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.