SCHEMBL4140971

SCHEMBL4140971

Cc1c(C(=O)O)oc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.49
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCL1 Q07820 3/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
GPR35 Q9HC97 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.41
MYC P01106 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL9693742 0.81 TSHR (0.45) EDNRARAB9AKDM4ETSHRL3MBTL1
SCHEMBL17440438 0.80 KDM4E (0.41) EDNRARAB9AKDM4ETSHRL3MBTL1
SCHEMBL4849720 0.80 EDNRA (0.46) EDNRARAB9AKDM4ETSHRL3MBTL1
SCHEMBL719825 0.77 CYP2C19 (0.47) RAB9AKDM4ETSHRL3MBTL1HPGD
SCHEMBL4623864 0.74 GRN (0.46) RAB9ATSHRHPGDHSD17B10NPC1
SCHEMBL14015884 0.74 KDM4E (0.45) RAB9AKDM4ETSHRL3MBTL1HPGD
SCHEMBL6647556 0.73 MAPK14 (0.58) RAB9AKDM4ETSHRL3MBTL1NPC1
SCHEMBL13624583 0.72 BRD4 (0.40) RAB9AKDM4ETSHRL3MBTL1HPGD
SCHEMBL442779 0.72 MCL1 (0.60) EDNRARAB9AKDM4ETSHRL3MBTL1
SCHEMBL19233637 0.72 LMNA (0.47) RAB9AKDM4ETSHRL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US claimed
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US claimed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 WO claimed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
CN-1431904-A Protease inhitors SMITHKLINE BEECHAM CO (US) 2003-07-23 CN claimed
US-20030114437-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-06-19 US claimed
EP-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP claimed
CN-1416346-A Peotease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-05-07 CN claimed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20030114437-A1 Protease inhibitors CTSS, CTSE, CTSF EDNRA 1369/4885RAB9A 1456/4885KDM4E 2876/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ EDNRA 3308/4885RAB9A 1322/4885KDM4E 917/4885
US-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ EDNRA 3914/4885RAB9A 954/4885KDM4E 1163/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ EDNRA 4041/4885RAB9A 1258/4885KDM4E 763/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE EDNRA 3703/4885RAB9A 2214/4885KDM4E 875/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ EDNRA 3308/4885RAB9A 1322/4885KDM4E 917/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF EDNRA 1369/4885RAB9A 1456/4885KDM4E 2876/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ EDNRA 3308/4885RAB9A 1322/4885KDM4E 917/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ EDNRA 3308/4885RAB9A 1322/4885KDM4E 917/4885

“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.