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SCHEMBL15065027

SCHEMBL15065027

COC(=O)C(O)C1(NC(=O)C(CC2(C)CCCC2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.42
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CTSK P43235 8/20 0.34
▸ CTSS P25774 7/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ KLK5 Q9Y337 1/20 0.34
▸ CTSB P07858 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ ACE P12821 1/20 0.32
▸ CACNA1B Q00975 1/20 0.31

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
SCHEMBL9994068 1.00 CTSL (0.42) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL16408513 0.91 CTSL (0.43) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL15086646 0.86 CTSL (0.41) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL6907732 0.85 CTSS (0.44) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL5327858 0.84 CTSL (0.42) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL8230099 0.84 CTSL (0.42) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL24324161 0.82 NFKB1 (0.43) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL5592364 0.82 NFKB1 (0.43) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL4087018 0.82 NFKB1 (0.43) CTSLHDAC4HDAC1HDAC6CTSK
SCHEMBL2364166 0.79 CTSK (0.43) CTSLCTSKCTSSCTSBITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102971286-B New cathepsin S protease inhibitors for the treatment of e.g. autoimmune disorders, allergy and chronic pain conditions MEDIVIR UK LTD. (GB) 2015-08-26 — — CN disclosed
EP-2582660-B1 NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS MEDIVIR UK LTD (GB) 2015-07-22 — — EP disclosed
US-20150025250-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD 2015-01-22 — — US disclosed
US-8859505-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 — — US disclosed
EP-2752404-A1 Cysteine protease inhibitors Medivir UK Ltd (GB) 2014-07-09 — — EP disclosed
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2013-07-04 — — US disclosed
CN-102971286-A New cathepsin S protease inhibitors for the treatment of e.g. autoimmune disorders, allergy and chronic pain conditions MEDIVIR UK LTD 2013-03-13 — — CN 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 (2 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-20150025250-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 CTSL 9/4885HDAC4 2279/4885HDAC1 791/4885
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 CTSL 9/4885HDAC4 2279/4885HDAC1 791/4885

“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.