SCHEMBL6580277

SCHEMBL6580277

CC(C)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LARS1 Q9P2J5 1/20 0.45
CTSK P43235 3/20 0.45
CACNA1B Q00975 1/20 0.45
BDKRB1 P46663 3/20 0.44
HTR7 P34969 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
NPY5R Q15761 1/20 0.44
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
BDKRB2 P30411 1/20 0.42
POLB P06746 1/20 0.42
F2 P00734 3/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42

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
SCHEMBL6580239 0.93 KMT2A (0.49) ALDH1A1KMT2ASMN1; SMN2LARS1CTSK
SCHEMBL6580216 0.90 CTSK (0.50) CTSKCACNA1BPOLBCTSLCTSB
SCHEMBL6577997 0.84 CTSK (0.46) ALDH1A1KMT2ASMN1; SMN2LARS1CTSK
SCHEMBL6578074 0.83 CTSK (0.49) ALDH1A1KMT2ACTSKCACNA1BCASP1
SCHEMBL6578205 0.82 CASP1 (0.61) CTSKCASP1CASP3CASP6CASP8
SCHEMBL6580588 0.81 CTSK (0.50) ALDH1A1KMT2ASMN1; SMN2LARS1CTSK
SCHEMBL8407935 0.78 CAPN1 (0.55) LARS1
SCHEMBL8407939 0.78 CAPN1 (0.55) LARS1
SCHEMBL6578490 0.77 CTSK (0.48) CTSKCASP1CASP3CASP6CASP8
SCHEMBL6577962 0.77 CASP1 (0.54) CTSKCASP1CASP3CASP6CASP8

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 ALDH1A1 1682/4885KMT2A 3689/4885SMN1; SMN2 3802/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL ALDH1A1 1876/4885KMT2A 4586/4885SMN1; SMN2 4556/4885

“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.