SCHEMBL6063246

SCHEMBL6063246

N#CCNC(=O)CCC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.66
CTSB P07858 1/20 0.66
HPGD P15428 3/20 0.54
CTSK P43235 2/20 0.50
CTSS P25774 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL6607606 0.80 HPGD (0.59) CTSLCTSBHPGDMEN1KMT2A
SCHEMBL13636416 0.80 HPGD (0.59) CTSLCTSBHPGDMEN1KMT2A
SCHEMBL6392805 0.78 HPGD (0.56) CTSLCTSBHPGDMEN1KMT2A
SCHEMBL8848118 0.77 HPGD (0.56) CTSLCTSBHPGDMEN1KMT2A
SCHEMBL8847408 0.76 HPGD (0.54) CTSLCTSBHPGDMEN1KMT2A
SCHEMBL5245833 0.76 HPGD (0.63) CTSLCTSBHPGDMEN1KMT2A
SCHEMBL8393928 0.76 HPGD (0.63) CTSLCTSBHPGDMEN1KMT2A
SCHEMBL8847821 0.75 ALDH1A1 (0.56) HPGDALDH1A1
SCHEMBL10631585 0.74 MCL1 (0.46) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL4437382 0.74 HPGD (0.56) CTSLCTSBHPGDMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (1 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSL 11/4885CTSB 2/4885HPGD 1645/4885

“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.