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Sugi Predict / Compounds / SCHEMBL5528176

SCHEMBL5528176

SCHEMBL5528176

N#CCNC(=O)C(CSCc1ccccc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CTSL P07711 6/20 0.50
▸ TAS1R3 Q7RTX0 3/20 0.50
▸ TAS1R1 Q7RTX1 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CTSS P25774 4/20 0.48
▸ CTSK P43235 3/20 0.48
▸ PTGER4 P35408 3/20 0.46
▸ CTSB P07858 3/20 0.46

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
SCHEMBL5528180 1.00 MEN1 (0.53) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL5528967 0.82 CTSL (0.73) CTSLALDH1A1CTSSCTSKCTSB
SCHEMBL5528970 0.82 CTSL (0.73) CTSLALDH1A1CTSSCTSKCTSB
SCHEMBL5524111 0.82 CTSL (0.71) CTSLCTSSCTSKCTSB
SCHEMBL5524107 0.82 CTSL (0.71) CTSLCTSSCTSKCTSB
SCHEMBL5526527 0.82 CTSB (0.62) CTSLCTSSCTSKCTSB
SCHEMBL5526529 0.82 CTSB (0.62) CTSLCTSSCTSKCTSB
SCHEMBL6738509 0.81 CTSS (0.55) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL6738504 0.81 CTSS (0.55) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL6742386 0.80 CTSS (0.56) CTSLCTSSCTSKCTSB

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 MEN1 3977/4885NPC1 545/4885RAB9A 2240/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MEN1 3977/4885NPC1 545/4885RAB9A 2240/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 MEN1 3977/4885NPC1 545/4885RAB9A 2240/4885

“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.