SCHEMBL7167459

SCHEMBL7167459

CCOC(=O)c1csc(-c2ccccc2OCOC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 7/20 0.53
MAPT P10636 6/20 0.53
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.49
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HSP90AA1 P07900 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CLK1 P49759 1/20 0.44
ATM Q13315 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL30671738 0.88 RAB9A (0.56) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL5337599 0.88 RAB9A (0.56) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL6984908 0.85 RAB9A (0.57) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL7678617 0.82 RAB9A (0.47) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL7163303 0.82 MMP13 (0.56) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL15754817 0.81 RAB9A (0.60) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL6224829 0.80 RAB9A (0.61) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL2551417 0.80 HTR2B (0.61) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL3436031 0.79 RAB9A (0.68) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL5896297 0.79 RAB9A (0.61) RAB9ANPC1MAPTNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 US disclosed
CN-1341590-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341592-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341593-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
US-6331542-B1 TREATING DISEASES CHARACTERIZED BY BONE LOSS OR EXCESSIVE CARTILAGE OR MATRIX DEGRADATION SMITHKLINE BEECHAM CORPORATION 2001-12-18 US disclosed
US-6284777-B1 BONE DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-04 US disclosed
US-6232342-B1 CATHEPSIN K INHIBITOR FOR TREATING OSTEOPOROSIS, GINGIVITIS, PERIODONTITIS, ARTHRITIS, OSTEOARTHRITIS RHEUMATOID ARTHRITIS, PAGET'S DISEASE, HYPERCALCEMIA OF MALIGNANCY AND METABOLIC BONE DISEASES SMITHKLINE BEECHAM CORPORATION 2001-05-15 US disclosed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 US disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN 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 (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-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG RAB9A 1337/4885NPC1 862/4885MAPT 1072/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG RAB9A 1337/4885NPC1 862/4885MAPT 1072/4885

“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.