SCHEMBL5525914

SCHEMBL5525914

N#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.67
CTSL P07711 10/20 0.67
CTSK P43235 7/20 0.67
CTSB P07858 1/20 0.67
USP30 Q70CQ3 1/20 0.45
F2RL1 P55085 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL5520550 0.88 CTSS (0.72) CTSSCTSLCTSKCTSBF2RL1
SCHEMBL5534117 0.85 CTSS (0.70) CTSSCTSLCTSKCTSBUSP30
SCHEMBL5530633 0.84 CTSS (0.74) CTSSCTSLCTSKCTSBUSP30
SCHEMBL5526238 0.84 CTSS (0.78) CTSSCTSLCTSKCTSBF2RL1
SCHEMBL5529219 0.83 CTSL (0.76) CTSSCTSLCTSKCTSBF2RL1
SCHEMBL5526563 0.83 CTSL (0.74) CTSSCTSLCTSKCTSB
SCHEMBL5522954 0.82 CTSL (0.71) CTSSCTSLCTSKCTSB
SCHEMBL5526076 0.82 CTSS (0.74) CTSSCTSLCTSKCTSBF2RL1
SCHEMBL5523258 0.82 CTSL (0.74) CTSSCTSLCTSKCTSBF2RL1
SCHEMBL5525365 0.82 CTSL (0.74) CTSSCTSLCTSKCTSBF2RL1

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 6 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
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP 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 CTSS 10/4885CTSL 14/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 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.