SCHEMBL1964295

SCHEMBL1964295

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 5/20 0.34
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
LMNA P02545 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 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
SCHEMBL1964683 0.90 ALDH1A1 (0.39) SMN1; SMN2GAAKDM4EMEN1MAPT
SCHEMBL15927847 0.85 SMN1; SMN2 (0.35) SMN1; SMN2GAAKDM4EMEN1MAPT
SCHEMBL4291628 0.85 SMN1; SMN2 (0.35) SMN1; SMN2GAAKDM4EMEN1MAPT
SCHEMBL3147640 0.85 SMN1; SMN2 (0.35) SMN1; SMN2GAAKDM4EMEN1MAPT
SCHEMBL15927846 0.85 SMN1; SMN2 (0.35) SMN1; SMN2GAAKDM4EMEN1MAPT
SCHEMBL7923032 0.83 LMNA (0.36) GAAALOX15POLBALDH1A1LMNA
SCHEMBL28017152 0.83 ALOX15 (0.35) SMN1; SMN2GAAKDM4EMEN1MAPT
SCHEMBL32676486 0.81 SMN1; SMN2 (0.34) SMN1; SMN2GAAKDM4EMEN1MAPT
SCHEMBL8050020 0.80 SMN1; SMN2 (0.33) SMN1; SMN2GAAKDM4EMEN1MAPT
SCHEMBL374081 0.79 OPRM1 (0.41) SMN1; SMN2GAAKDM4EMEN1MAPT

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 27 patents — showing the first 20. 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-8859605-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-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-2509956-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2014-07-23 EP disclosed
EP-2509956-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2014-07-23 EP disclosed
EP-2752404-A1 Cysteine protease inhibitors Medivir UK Ltd (GB) 2014-07-09 EP 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
EP-2509956-A1 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2012-10-17 EP 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
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-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-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 (3 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 SMN1; SMN2 4777/4885GAA 1271/4885KDM4E 4417/4885
US-20150025250-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 SMN1; SMN2 4852/4885GAA 751/4885KDM4E 4295/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 SMN1; SMN2 4521/4885GAA 588/4885KDM4E 4468/4885

“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.