SCHEMBL5414786

SCHEMBL5414786

CC(C(C(=O)NCC#N)S(=O)(=O)Cc1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.42
▸ CTSS P25774 6/20 0.42
▸ CTSL P07711 6/20 0.42
▸ CTSB P07858 4/20 0.42
▸ GPR139 Q6DWJ6 1/20 0.42
▸ LIPC P11150 1/20 0.42
▸ CTSK P43235 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL5414780 0.81 CTSS (0.46) CNR1CTSSCTSLCTSBCTSK
SCHEMBL5414795 0.74 CTSS (0.39) CNR1CTSSCTSBCTSKLMNA
SCHEMBL5422983 0.70 FOLH1 (0.45) CTSSCTSLCTSBGPR139CTSK
SCHEMBL4636293 0.70 CNR1 (0.54) CNR1GLAALDH1A1MAPTADAMTS4
SCHEMBL7594265 0.70 CTSB (0.55) CTSSCTSLCTSBCTSK
SCHEMBL7551628 0.70 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL6632265 0.70 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL2157445 0.69 ALDH1A1 (0.55) CNR1LMNAGLAALDH1A1MAPT
SCHEMBL7666329 0.68 CTSL (0.64) CTSSCTSLCTSBCTSK
SCHEMBL7666326 0.68 CTSL (0.64) CTSSCTSLCTSBCTSK

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CNR1 1771/4885CTSS 1/4885CTSL 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.

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