SCHEMBL1965613

SCHEMBL1965613

Cn1ccc(NC(=O)C(O)C2(NC(=O)OC(C)(C)C)CCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAF1 P04049 1/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.37
MAPT P10636 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
NOTUM Q6P988 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
GCK P35557 3/20 0.34
MAPK1 P28482 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 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
SCHEMBL14325513 0.96 SMN1; SMN2 (0.40) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL15888212 0.89 CTSK (0.40) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6886993 0.88 RAF1 (0.38) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1964636 0.87 SMN1; SMN2 (0.36) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6908372 0.87 SMN1; SMN2 (0.36) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1986088 0.86 CDK5 (0.37) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL7927911 0.85 CTSK (0.41) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6908257 0.85 CTSK (0.40) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL15888244 0.85 CTSK (0.40) CTSKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL14118135 0.84 CTSK (0.40) CTSKSMN1; SMN2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
EP-2509956-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
US-20110312964-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2011-12-22 US 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-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

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 CTSK 9/4885SMN1; SMN2 4777/4885KDM4E 4417/4885
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 CTSK 13/4885SMN1; SMN2 4734/4885KDM4E 4154/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 CTSK 19/4885SMN1; SMN2 4521/4885KDM4E 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.