SCHEMBL2163129

SCHEMBL2163129

O=C([C@@H](O)CS(=O)(=O)Cc1ccccc1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
FKBP1A P62942 1/20 0.48
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
CTSS P25774 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2163134 1.00 MMP8 (0.50) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL5479757 0.80 MMP8 (0.64) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL2162836 0.80 MMP8 (0.64) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL2162843 0.80 MMP8 (0.64) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL19508166 0.80 HPGD (0.45) FKBP1AALDH1A1MEN1KMT2ANPSR1
SCHEMBL5955811 0.79 FKBP1A (0.51) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL5955863 0.79 FKBP1A (0.51) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL5421601 0.79 FKBP1A (0.51) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL5527877 0.78 MMP8 (0.52) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL12196227 0.78 FKBP1A (0.60) MMP8FKBP1AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 US disclosed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 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 (6 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ MMP8 157/4885FKBP1A 638/4885ALDH1A1 3512/4885
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF MMP8 93/4885FKBP1A 1646/4885ALDH1A1 3425/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ MMP8 157/4885FKBP1A 638/4885ALDH1A1 3512/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ MMP8 157/4885FKBP1A 638/4885ALDH1A1 3512/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF MMP8 93/4885FKBP1A 1646/4885ALDH1A1 3425/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV MMP8 329/4885FKBP1A 1297/4885ALDH1A1 2502/4885

“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.