SCHEMBL1964683

SCHEMBL1964683

CCOC(=O)C1(C(=O)OCC)CC(F)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.36
ALOX15 P16050 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7923032 0.92 LMNA (0.36) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL1964295 0.90 SMN1; SMN2 (0.35) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL12030067 0.83 ALDH1A1 (0.39) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL1962459 0.83 ALDH1A1 (0.39) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL11938481 0.83 ALDH1A1 (0.39) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL17444931 0.81 BRD4 (0.40) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL13640434 0.81 BRD4 (0.40) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL34461866 0.81 ALOX15 (0.39) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL29192006 0.81 ALDH1A1 (0.37) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL11540510 0.81 ALDH1A1 (0.37) ALDH1A1POLBLMNAHSD17B10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8853281-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-07 US disclosed
US-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 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
WO-2012172473-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-20 WO disclosed
WO-2012168852-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-13 WO disclosed
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-06 US disclosed
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-11-08 US disclosed
EP-2509957-A1 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2012-10-17 EP disclosed
US-20110312964-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2011-12-22 US 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-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 (5 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-20110312964-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSV ALDH1A1 2668/4885POLB 650/4885LMNA 2305/4885
US-20150025250-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 ALDH1A1 1927/4885POLB 1458/4885LMNA 2135/4885
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 ALDH1A1 2532/4885POLB 1672/4885LMNA 2421/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 ALDH1A1 2315/4885POLB 1224/4885LMNA 1709/4885
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 ALDH1A1 1927/4885POLB 1458/4885LMNA 2135/4885

“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.