SCHEMBL3316282

SCHEMBL3316282

CC(C)CN(NC(=O)OC(C)(C)C)c1nc(Cl)ncc1Br

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
AAK1 Q2M2I8 15/20 0.37
TRPA1 O75762 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
AKT1 P31749 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
SCHEMBL5306326 0.89 STK17B (0.47) STK17BSTK17AAAK1TRPA1
SCHEMBL5309237 0.88 STK17B (0.40) STK17BSTK17AAAK1TRPA1
SCHEMBL5792631 0.88 STK17B (0.42) STK17BSTK17AAAK1TRPA1
SCHEMBL5306991 0.87 STK17B (0.41) STK17BSTK17AAAK1TRPA1
SCHEMBL3176616 0.86 STK17B (0.42) STK17BSTK17AAAK1TRPA1ABL1
SCHEMBL5304940 0.84 STK17B (0.41) STK17BSTK17AAAK1TRPA1ABL1
SCHEMBL3319961 0.84 CTSS (0.54) CTSLCTSBCTSSCTSKAAK1
SCHEMBL5306740 0.83 STK17B (0.39) STK17BSTK17AAAK1TRPA1
SCHEMBL5591385 0.81 STK17B (0.39) STK17BSTK17AAAK1ABL1BCR
SCHEMBL8244869 0.81 STK17B (0.39) STK17BSTK17AAAK1ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed
WO-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP STK17B 2781/4885STK17A 2729/4885CTSL 31/4885

“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.