Sugi Predict

Sugi Predict / Compounds / SCHEMBL5525360

SCHEMBL5525360

SCHEMBL5525360

CN(C#N)C(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.50
▸ CTSS P25774 5/20 0.50
▸ CTSB P07858 4/20 0.50
▸ CTSK P43235 3/20 0.50
▸ PYGL P06737 1/20 0.45
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GRN P28799 1/20 0.42
▸ SORT1 Q99523 1/20 0.42
▸ P2RX7 Q99572 2/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CTSH P09668 1/20 0.39

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
SCHEMBL7561468 0.88 CTSS (0.53) CTSLCTSSCTSBCTSKPYGL
SCHEMBL7590963 0.88 CTSL (0.50) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5526075 0.88 SMN1; SMN2 (0.52) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7564797 0.85 CTSL (0.48) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525335 0.85 CTSL (0.69) CTSLCTSSCTSBCTSKGRN
SCHEMBL5530441 0.85 CTSL (0.69) CTSLCTSSCTSBCTSKGRN
SCHEMBL5525365 0.82 CTSL (0.74) CTSLCTSSCTSBCTSKPYGL
SCHEMBL5522774 0.82 CTSS (0.53) CTSLCTSSCTSBCTSKGRN
SCHEMBL7590679 0.80 CTSL (0.45) CTSLCTSSCTSBCTSKGRN
SCHEMBL7478526 0.80 CTSL (0.48) CTSLCTSSCTSBCTSKGRN

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
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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 — — EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — 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 (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 10/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885

“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.