SCHEMBL7168984

SCHEMBL7168984

O=C(CNC(=O)c1cccc(Oc2ccccc2)c1)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 1/20 0.58
▸ MMP2 P08253 7/20 0.57
▸ ADAMTS4 O75173 2/20 0.57
▸ MMP13 P45452 2/20 0.57
▸ MMP14 P50281 2/20 0.57
▸ ADAMTS5 Q9UNA0 2/20 0.57
▸ MMP1 P03956 1/20 0.57
▸ MEP1B Q16820 1/20 0.57
▸ MCL1 Q07820 5/20 0.56
▸ BCL2L1 Q07817 4/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CTSS P25774 1/20 0.56
▸ CA12 O43570 5/20 0.52
▸ CA1 P00915 5/20 0.52
▸ CA2 P00918 5/20 0.52
▸ CA9 Q16790 5/20 0.52
▸ HDAC8 Q9BY41 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ AKR1C3 P42330 1/20 0.48
▸ MEN1 O00255 1/20 0.48

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
SCHEMBL7163404 0.90 MMP2 (0.62) MMP2ADAMTS4MMP13MMP14ADAMTS5
SCHEMBL5899447 0.79 MMP2 (0.70) KAT6AMMP2ADAMTS4MMP13MMP14
SCHEMBL9187790 0.78 HDAC8 (0.67) KAT6AMMP1HDAC8ALDH1A1AKR1C3
SCHEMBL8048075 0.78 MMP2 (0.65) MMP2ADAMTS4MMP13MMP14ADAMTS5
SCHEMBL8782975 0.77 HDAC8 (0.69) KAT6AMMP1HDAC8ALDH1A1AKR1C3
SCHEMBL6557782 0.77 MMP2 (0.64) MMP2ADAMTS4MMP13MMP14ADAMTS5
SCHEMBL7164010 0.76 SGMS2 (0.53) MMP2ADAMTS4MMP13MMP14ADAMTS5
SCHEMBL7247467 0.74 MMP2 (0.72) MMP2ADAMTS4MMP13MMP14ADAMTS5
SCHEMBL9186841 0.74 HDAC8 (0.60) KAT6AMMP1HDAC8ALDH1A1AKR1C3
SCHEMBL11668725 0.73 HDAC8 (0.67) KAT6AHDAC8ALDH1A1AKR1C3MEN1

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 8 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
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

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 KAT6A 2489/4885MMP2 26/4885ADAMTS4 28/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG KAT6A 2489/4885MMP2 26/4885ADAMTS4 28/4885

“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.

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