SCHEMBL5414795

SCHEMBL5414795

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ GLA P06280 1/20 0.36

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 0.78 CTSS (0.46) CTSSLMNACNR1FOLH1CTSB
SCHEMBL5414786 0.74 CNR1 (0.42) CTSSMMP13LMNAALDH1A1MAPT
SCHEMBL12251537 0.72 GLA (0.48) ALDH1A1MAPTCNR1L3MBTL1KMT2A
SCHEMBL12303232 0.69 GLA (0.50) LMNAALDH1A1MAPTCNR1KMT2A
SCHEMBL6632265 0.67 CTSS (0.51) CTSSCTSBCTSK
SCHEMBL2157445 0.66 ALDH1A1 (0.55) LMNAALDH1A1MAPTCNR1VNN1
SCHEMBL14426952 0.66 GLA (0.47) CTSSALDH1A1MAPTCNR1KMT2A
SCHEMBL5422983 0.65 FOLH1 (0.45) CTSSLMNAFOLH1CTSBCTSK
SCHEMBL4636453 0.65 GLA (0.49) LMNAALDH1A1MAPTCNR1KMT2A
SCHEMBL16914850 0.65 CA1 (0.58) MMP13MMP1LMNAALDH1A1MAPT

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 CTSS 1/4885MMP13 177/4885MMP1 359/4885

“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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