SCHEMBL6983082

SCHEMBL6983082

NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.56
TLR7 Q9NYK1 5/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL7447138 0.88 PTGER1 (0.54) PTGER1TLR7HDAC6HDAC1HDAC8
SCHEMBL7381559 0.87 PTGER1 (0.61) PTGER1KDM4EALDH1A1
SCHEMBL7607568 0.87 PTGER1 (0.53) PTGER1TLR7MAPTKDM4ENPSR1
SCHEMBL7087561 0.85 PTGER1 (0.52) PTGER1TLR7MAPTKDM4ELMNA
SCHEMBL7443767 0.84 PTGER1 (0.51) PTGER1TLR7MAPTKDM4EHDAC6
SCHEMBL7448360 0.83 TLR7 (0.50) PTGER1TLR7LMNATDP1HPGD
SCHEMBL7498276 0.83 TLR7 (0.54) PTGER1TLR7
SCHEMBL7448167 0.83 PTGER1 (0.50) PTGER1TLR7GAA
SCHEMBL7449280 0.83 PTGER1 (0.53) PTGER1TLR7MAPTNPSR1LMNA
SCHEMBL7164971 0.83 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2

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 19 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
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
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
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 EP disclosed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 US disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO 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
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 PTGER1 386/4885TLR7 4297/4885MAPT 2704/4885
US-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG PTGER1 759/4885TLR7 4220/4885MAPT 1072/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG PTGER1 759/4885TLR7 4220/4885MAPT 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.