SCHEMBL1964636

SCHEMBL1964636

Cn1ccc(NC(=O)C(O)C2(NC(=O)OC(C)(C)C)CC(F)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAF1 P04049 1/20 0.36
IDO1 P14902 1/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CTSK P43235 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NOTUM Q6P988 1/20 0.33
GCK P35557 3/20 0.33
MAPK1 P28482 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL6908372 1.00 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL1986088 0.89 CDK5 (0.37) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL14325513 0.89 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL6886993 0.87 RAF1 (0.38) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL1965613 0.87 CTSK (0.40) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL14251655 0.85 NPC1 (0.41) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL6908374 0.84 CTSK (0.36) IDO1CTSK
SCHEMBL14317256 0.84 CTSK (0.36) CTSK
SCHEMBL6886347 0.84 CTSK (0.36) CTSK
SCHEMBL15888212 0.78 CTSK (0.40) SMN1; SMN2KDM4EALDH1A1LMNAHTT

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 8 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-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
WO-2012172473-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-20 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
WO-2011070541-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 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 (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-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 SMN1; SMN2 4734/4885KDM4E 4154/4885ALDH1A1 2532/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 SMN1; SMN2 4521/4885KDM4E 4468/4885ALDH1A1 2315/4885

“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.