SCHEMBL7076532

SCHEMBL7076532

COc1ccc(S(=O)(=O)CCCS)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 1.00
MMP8 P22894 4/20 1.00
MMP1 P03956 7/20 0.66
MMP3 P08254 2/20 0.66
ADAM17 P78536 3/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL7208360 0.95 MMP13 (0.90) MMP13MMP8MMP1MMP3ADAM17
SCHEMBL7212113 0.89 MMP13 (0.80) MMP13MMP8MMP1MMP3ADAM17
SCHEMBL20054093 0.84 MMP13 (0.72) MMP13MMP8MMP1MMP9HTT
SCHEMBL14379753 0.82 MMP13 (0.70) MMP13MMP8MMP1ADAM17MMP9
SCHEMBL10570690 0.82 MMP13 (0.70) MMP13MMP8MMP1ADAM17MMP2
SCHEMBL7082733 0.82 MMP13 (0.70) MMP13MMP8MMP1MMP2MMP9
SCHEMBL29130800 0.82 MMP13 (0.70) MMP13MMP8MMP1MMP3HTT
SCHEMBL7207812 0.81 MMP13 (0.69) MMP13MMP8MMP1MMP3ADAM17
SCHEMBL24175875 0.81 MMP13 (0.68) MMP13MMP8MMP1MMP3ADAM17
SCHEMBL24175871 0.81 MMP13 (0.68) MMP13MMP8MMP1MMP3ADAM17

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 12 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
EP-0939628-A4 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 1999-12-22 EP disclosed
EP-0939628-A1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
EP-0927168-A1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP disclosed
WO-1998008822-A1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed
WO-1998003164-A1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 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 (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 15/4885MMP8 50/4885MMP1 7/4885

“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.