SCHEMBL5525342

SCHEMBL5525342

N#CCNC(=O)C(CNC(=O)c1ccccc1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.60
CTSK P43235 6/20 0.60
CTSB P07858 6/20 0.60
CTSS P25774 5/20 0.60
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP7 Q9UHL4 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
SCHEMBL5521620 0.91 CTSL (0.56) CTSLCTSKCTSBCTSSRAB9A
SCHEMBL5522184 0.91 CTSL (0.56) CTSLCTSKCTSBCTSSLMNA
SCHEMBL5520691 0.90 CTSL (0.50) CTSLCTSKCTSBCTSSLMNA
SCHEMBL5534377 0.90 CTSL (0.49) CTSLCTSKCTSBCTSSGAA
SCHEMBL5525765 0.90 CTSL (0.71) CTSLCTSKCTSBCTSSRAB9A
SCHEMBL5528494 0.90 CTSL (0.53) CTSLCTSKCTSBCTSS
SCHEMBL5534185 0.90 CTSL (0.55) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL5529606 0.90 CTSL (0.55) CTSLCTSKCTSBCTSSLMNA
SCHEMBL5534166 0.90 CTSL (0.55) CTSLCTSKCTSBCTSSRAB9A
SCHEMBL5528969 0.89 PKM (0.56) CTSLCTSKCTSBCTSSLMNA

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 8 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
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 14/4885CTSK 32/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSB 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.