SCHEMBL7077700

SCHEMBL7077700

COc1ccc(S(=O)(=O)CC(C)(C)CO)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.71
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP1 P03956 5/20 0.50
MMP8 P22894 2/20 0.49
PKM P14618 3/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.45
PKLR P30613 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD11B1 P28845 2/20 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
SCHEMBL7076712 0.91 MMP13 (0.83) MMP13HTTNPSR1MMP1MMP8
SCHEMBL7207578 0.83 MMP13 (1.00) MMP13HTTNPSR1MMP1MMP8
SCHEMBL1939507 0.79 PLCG1 (0.52) MMP13MMP1MMP8CA1CA2
SCHEMBL9703007 0.78 HTT (0.66) MMP13HTTNPSR1MMP1MMP8
SCHEMBL7647099 0.76 MMP13 (0.57) MMP13HTTNPSR1MMP1MMP8
SCHEMBL4190555 0.75 HTT (0.67) MMP13HTTNPSR1MMP1MMP8
SCHEMBL7744256 0.74 MMP13 (0.55) MMP13HTTNPSR1MMP1MMP8
SCHEMBL6708168 0.74 PKM (0.64) MMP13HTTNPSR1MMP1MMP8
SCHEMBL3250372 0.74 PKM (0.64) MMP13HTTNPSR1MMP1MMP8
SCHEMBL7207772 0.73 MMP13 (0.71) MMP13HTTNPSR1MMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130271-A1 1,3-Diheterocyclic metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-10 US disclosed
EP-0939628-B1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2003-03-05 EP disclosed
EP-0927168-B1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-11-06 EP disclosed
US-6469000-B1 TREATING ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS, SKIN DISORDERS, OCULAR DISORDERS, INFLAMMATION AND GUM DISEASE THE PROCTER & GAMBLE CO. 2002-10-22 US disclosed
US-6465474-B1 TREATMENT OF SUCH AS OSTEOARTHITIS, RHEUMATOID ARTHRITIS, PREVENTION OR ARREST OF TUMOR GROWTH AND METASTASIS, CORNEAL ULCERATION, LACK OF CORNEAL HEALING, MACULAR DEGENERATION, PERIODONTAL DISEASE, GINGIVITIS THE PROCTER & GAMBLE COMPANY 2002-10-15 US disclosed
US-6150370-A 1,3-DINITROCYCLIC COMPOUND TREATS NUMEROUS DISEASES CAUSED BY UNDESIRED METALLOPROTEASE ACTIVITY, SUCH AS TUMOR METASTASIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SKIN INFLAMMATION, ULCERATIONS, AND PERIODONTITIS THE PROCTER & GAMBLE COMPANY (US) 2000-11-21 US disclosed
US-6013649-A BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS MONSANTO COMPANY (US) 2000-01-11 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 (1 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-20030130271-A1 1,3-Diheterocyclic metalloprotease inhibitors ADAM17, TIMP3, MMP3 MMP13 15/4885HTT 3468/4885NPSR1 1497/4885

“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.