SCHEMBL7165302

SCHEMBL7165302

CC(C)C[C@@H]([C]=O)NS(=O)(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CTSK P43235 3/20 0.41
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLO1 Q04760 4/20 0.38
SLC40A1 Q9NP59 2/20 0.38
KAT6A Q92794 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
METAP2 P50579 1/20 0.37
PKM P14618 2/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL27476059 0.78 L3MBTL1 (0.44) L3MBTL1CTSKS1PR1KDM4EGLO1
SCHEMBL7473562 0.78 L3MBTL1 (0.44) L3MBTL1CTSKS1PR1KDM4EGLO1
SCHEMBL578901 0.77 L3MBTL1 (0.51) L3MBTL1S1PR1KDM4EGLO1SLC40A1
SCHEMBL5092762 0.77 MMP2 (0.51) L3MBTL1CTSKKDM4EKAT6ACTSB
SCHEMBL5092766 0.77 MMP2 (0.51) L3MBTL1CTSKKDM4EKAT6ACTSB
SCHEMBL7471968 0.76 MMP1 (0.52) KDM4EKMT2AHTTALDH1A1
SCHEMBL20094824 0.74 L3MBTL1 (0.49) L3MBTL1S1PR1KDM4EGLO1SLC40A1
SCHEMBL4622757 0.71 L3MBTL1 (0.45) L3MBTL1S1PR1KDM4EGLO1SLC40A1
SCHEMBL7371078 0.71 CA2 (0.58) KMT2AALDH1A1
SCHEMBL4622762 0.71 L3MBTL1 (0.45) L3MBTL1S1PR1KDM4EGLO1SLC40A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 US claimed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 US claimed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 US claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP claimed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP claimed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO claimed
US-6586466-B2 Enzyme inhibitor for use in the treatment of bone, oral, arthritic, paget's and hypercalcemic diseases SMITHKLINE BEECHAM CORPORATION 2003-07-01 US disclosed
US-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 US disclosed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 US disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed
EP-0804180-A1 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORPORATION (US) 1997-11-05 EP disclosed
WO-1997016177-A9 METHOD OF INHIBITING CATHEPSIN K 1997-07-24 WO disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed
WO-1997016177-A1 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 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 (3 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ L3MBTL1 628/4885CTSK 22/4885S1PR1 2349/4885
US-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG L3MBTL1 4253/4885CTSK 1/4885S1PR1 2159/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG L3MBTL1 4253/4885CTSK 1/4885S1PR1 2159/4885

“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.