SCHEMBL1965017

SCHEMBL1965017

COC(=O)C(CC1(F)CCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSS P25774 8/20 0.41
CTSK P43235 7/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
KLK5 Q9Y337 1/20 0.37
CTSB P07858 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
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
SCHEMBL15976341 1.00 CTSL (0.41) CTSLCTSSCTSKNFKB1NFKB2
SCHEMBL25076194 0.94 CTSL (0.43) CTSLCTSSCTSKNFKB1NFKB2
SCHEMBL2341125 0.89 CTSS (0.42) CTSLCTSSCTSKCTSBITGB3
SCHEMBL6908367 0.89 CTSS (0.42) CTSLCTSSCTSKCTSBITGB3
SCHEMBL1965485 0.89 CTSS (0.42) CTSLCTSSCTSKCTSBITGB3
SCHEMBL25175778 0.88 CTSL (0.43) CTSLCTSSCTSKNFKB1NFKB2
SCHEMBL1962816 0.86 CTSS (0.42) CTSLCTSSCTSKCTSBITGB3
SCHEMBL8230099 0.84 CTSL (0.42) CTSLCTSSCTSKNFKB1NFKB2
SCHEMBL5327858 0.84 CTSL (0.42) CTSLCTSSCTSKNFKB1NFKB2
SCHEMBL6907732 0.84 CTSS (0.44) CTSLCTSSCTSKNFKB1NFKB2

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-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 US disclosed
EP-2509956-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2014-07-23 EP disclosed
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-06 US disclosed
EP-2509956-A1 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2012-10-17 EP disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 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-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 CTSL 9/4885CTSS 2/4885CTSK 13/4885

“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.