SCHEMBL4087018

SCHEMBL4087018

COC(=O)[C@H](CC1(C)CCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
CTSL P07711 2/20 0.42
CTSK P43235 7/20 0.41
CTSS P25774 6/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CTSB P07858 1/20 0.38
KLK5 Q9Y337 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL5592364 1.00 NFKB1 (0.43) NFKB1NFKB2RELACTSLCTSK
SCHEMBL24324161 1.00 NFKB1 (0.43) NFKB1NFKB2RELACTSLCTSK
SCHEMBL8230099 0.97 CTSL (0.42) NFKB1NFKB2RELACTSLCTSK
SCHEMBL5327858 0.97 CTSL (0.42) NFKB1NFKB2RELACTSLCTSK
SCHEMBL18762505 0.94 CTSL (0.42) NFKB1NFKB2RELACTSLCTSK
SCHEMBL13087991 0.94 CTSL (0.44) NFKB1NFKB2RELACTSLCTSK
SCHEMBL2364175 0.88 CTSK (0.43) CTSLCTSKCTSSCA1CA2
SCHEMBL2364176 0.88 CTSK (0.43) CTSLCTSKCTSSCA1CA2
SCHEMBL29059461 0.88 CTSK (0.43) CTSLCTSKCTSSCA1CA2
SCHEMBL30588815 0.86 CTSK (0.42) NFKB1NFKB2RELACTSLCTSK

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-20090023747-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20090023747-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
EP-1899336-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-03-19 EP disclosed
WO-2007006716-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 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-20090023747-A1 Cysteine Protease Inhibitors CTSK, CTSS, CTSZ NFKB1 1295/4885NFKB2 1379/4885RELA 1935/4885

“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.