SCHEMBL6984908

SCHEMBL6984908

CCOC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
MAPT P10636 6/20 0.57
NPC1 O15118 5/20 0.57
PTGER1 P34995 3/20 0.54
MMP13 P45452 4/20 0.54
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSP90AA1 P07900 1/20 0.46
MMP1 P03956 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPIA P62937 1/20 0.45
LMNA P02545 1/20 0.45
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL7163303 0.92 MMP13 (0.56) RAB9AMAPTNPC1PTGER1MMP13
SCHEMBL15602720 0.91 RAB9A (0.53) RAB9AMAPTNPC1PTGER1MMP13
SCHEMBL4720405 0.87 PTGER1 (0.74) RAB9AMAPTNPC1PTGER1MMP13
SCHEMBL7383666 0.87 MAPT (0.49) RAB9AMAPTNPC1PTGER1MMP13
SCHEMBL7381559 0.85 PTGER1 (0.61) PTGER1MMP13ALDH1A1ACHE
SCHEMBL7167459 0.85 RAB9A (0.53) RAB9AMAPTNPC1GAAPOLB
SCHEMBL5337599 0.84 RAB9A (0.56) RAB9AMAPTNPC1GAAPOLB
SCHEMBL30671738 0.84 RAB9A (0.56) RAB9AMAPTNPC1GAAPOLB
SCHEMBL22939882 0.84 MMP13 (0.62) RAB9AMAPTNPC1MMP13GAA
SCHEMBL14124905 0.84 RAB9A (0.50) RAB9AMAPTNPC1PTGER1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975612-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP claimed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP claimed
EP-0975612-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-02 EP claimed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed
WO-1998046582-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-22 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
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 US disclosed
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 US disclosed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 US disclosed
CN-1341592-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO 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
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
WO-1998046582-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-22 WO disclosed
WO-1997016433-A1 PROTEASE INHIBITORS 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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 RAB9A 2225/4885MAPT 2704/4885NPC1 844/4885
US-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG RAB9A 1337/4885MAPT 1072/4885NPC1 862/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG RAB9A 1337/4885MAPT 1072/4885NPC1 862/4885

“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.