SCHEMBL6580365

SCHEMBL6580365

CC(C)CCCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3ccccc3n2)C(O)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.55
CTSK P43235 7/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
CTSS P25774 2/20 0.54
HTR7 P34969 5/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
HTR6 P50406 2/20 0.46
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6577775 0.89 UTS2R (0.63) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL6578504 0.86 UTS2R (0.45) UTS2RCTSKHTR1ADRD2CASP1
SCHEMBL6580733 0.86 CTSK (0.52) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL6580667 0.85 CTSK (0.64) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL6580257 0.84 CTSK (0.55) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL6580430 0.82 UTS2R (0.57) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL6578056 0.81 TAS1R3 (0.54) UTS2RCTSKCTSBHTR1ADRD2
SCHEMBL6578322 0.81 CTSK (0.52) UTS2RCTSKCTSLCTSSHTR7
SCHEMBL7412603 0.80 UTS2R (0.67) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL6584216 0.80 CTSK (0.57) UTS2RCTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US claimed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US claimed
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 EP claimed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 EP claimed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO claimed
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS UTS2R 1950/4885CTSK 1/4885CTSL 7/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL UTS2R 972/4885CTSK 100/4885CTSL 8/4885

“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.