SCHEMBL5534147

SCHEMBL5534147

N#CCNC(=O)C(CNC(=O)c1cncnc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.48
CTSK P43235 8/20 0.43
CTSS P25774 6/20 0.43
CTSB P07858 2/20 0.43
ITGAV P06756 1/20 0.38
CTSV O60911 2/20 0.35
DGAT2 Q96PD7 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5528494 0.86 CTSL (0.53) CTSLCTSKCTSSCTSBCTSV
SCHEMBL5525342 0.85 CTSL (0.60) CTSLCTSKCTSSCTSBLMNA
SCHEMBL5521620 0.83 CTSL (0.56) CTSLCTSKCTSSCTSB
SCHEMBL5522184 0.83 CTSL (0.56) CTSLCTSKCTSSCTSBCTSV
SCHEMBL5525765 0.82 CTSL (0.71) CTSLCTSKCTSSCTSBEGLN2
SCHEMBL5534166 0.82 CTSL (0.55) CTSLCTSKCTSSCTSBITGAV
SCHEMBL5529606 0.82 CTSL (0.55) CTSLCTSKCTSSCTSBLMNA
SCHEMBL5534185 0.82 CTSL (0.55) CTSLCTSKCTSSCTSB
SCHEMBL5527661 0.81 CTSL (0.57) CTSLCTSKCTSSCTSB
SCHEMBL7565671 0.81 KMT2A (0.52) CTSLCTSKCTSSCTSBLMNA

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 14/4885CTSK 32/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSS 10/4885

“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.