SCHEMBL1965623

SCHEMBL1965623

CC(C)(C)OC(=O)NC1(C(O)C(=O)O)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.34
CTSL P07711 1/20 0.34
PPARA Q07869 2/20 0.33
APLNR P35414 1/20 0.33
EPHX1 P07099 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PPARG P37231 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
FOLH1 Q04609 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
SCHEMBL12070311 0.93 GAA (0.39) BTKGAAMEN1KMT2AMAPK1
SCHEMBL29395889 0.86 CA1 (0.34) BTKGAAMEN1KMT2AMAPK1
SCHEMBL6888536 0.84 CTSL (0.35) BTKGAAMEN1KMT2AMAPK1
SCHEMBL1964729 0.81 KMT2A (0.36) BTKGAAMEN1KMT2AMAPK1
SCHEMBL29399267 0.81 GAA (0.35) BTKGAAMEN1KMT2AMAPK1
SCHEMBL16152258 0.81 BTK (0.31) BTKGAAMEN1KMT2AMAPK1
SCHEMBL1964648 0.80 MEN1 (0.38) BTKGAAMEN1KMT2AMAPK1
SCHEMBL6884817 0.80 MEN1 (0.38) BTKGAAMEN1KMT2AMAPK1
SCHEMBL6888034 0.79 MEN1 (0.34) BTKGAAMEN1KMT2AMAPK1
SCHEMBL1963074 0.79 MEN1 (0.37) BTKGAAMEN1KMT2AMAPK1

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 43 patents — showing the first 20. 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
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-20150025250-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD 2015-01-22 US disclosed
CN-102264710-B Cysteine protease inhibitors MEDIVIR UK LTD 2014-11-05 CN disclosed
US-8859505-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-8859505-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-8859605-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-8859605-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
WO-2011158197-A1 NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS MEDIVIR UK LIMITED (GB) 2011-12-22 WO disclosed
WO-2011158197-A1 NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS MEDIVIR UK LIMITED (GB) 2011-12-22 WO disclosed
CN-102264710-A Cysteine protease inhibitors 2011-11-30 CN disclosed
EP-2358692-A1 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2011-08-24 EP disclosed
WO-2011070541-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070541-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-2010070615-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2010-06-24 WO disclosed
WO-2010070615-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2010-06-24 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-20150025250-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 BTK 3362/4885GAA 751/4885MEN1 3374/4885

“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.