SCHEMBL4638907

SCHEMBL4638907

O=CN(O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.59
MMP13 P45452 10/20 0.59
MMP2 P08253 9/20 0.59
MMP9 P14780 8/20 0.59
MMP14 P50281 4/20 0.59
MMP3 P08254 3/20 0.59
MMP8 P22894 3/20 0.59
MMP7 P09237 2/20 0.59
ABCB11 O95342 1/20 0.59
MMP10 P09238 1/20 0.59
ADAM17 P78536 1/20 0.59
ADAMTS4 O75173 5/20 0.44
ADAMTS5 Q9UNA0 4/20 0.44
AOC2 O75106 1/20 0.40

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
SCHEMBL7502951 0.90 ADAMTS4 (0.47) MMP1MMP13MMP2MMP9MMP14
SCHEMBL4640547 0.86 MMP9 (0.47) MMP1MMP13MMP2MMP9MMP14
SCHEMBL8000265 0.86 MMP9 (0.55) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7448192 0.84 ADAMTS4 (0.43) MMP1MMP13MMP2MMP9MMP14
SCHEMBL9938067 0.77 MMP1 (0.77) MMP1MMP13MMP2MMP9MMP14
SCHEMBL16313316 0.76 MMP1 (0.76) MMP1MMP13MMP2MMP9MMP14
SCHEMBL8001943 0.76 MMP9 (0.58) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7991238 0.76 ADAMTS4 (0.44) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7998959 0.76 ADAMTS4 (0.47) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7990305 0.75 MMP9 (0.62) MMP1MMP13MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020133030-A1 Processes for preparing 3-arylsulfur hydroxamic acids SYNTEX USA, LLC (US) 2002-09-19 US claimed
EP-0965592-A1 Process for preparing 3-arylsulfur hydroxamic acids F. HOFFMANN-LA ROCHE AG (CH) 1999-12-22 EP claimed
EP-1357109-B1 Process for aryl alkyl sulfide HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
EP-1357109-A2 Process for aryl alkyl sulfide F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP disclosed
US-6518460-B2 Antiinflammatory agents; cardiovascular disorders SYNTEX (U.S.A.) LLC 2003-02-11 US disclosed
US-20020133030-A1 Processes for preparing 3-arylsulfur hydroxamic acids SYNTEX USA, LLC (US) 2002-09-19 US disclosed
US-6420573-B1 ALKYLATING A COMPOUND OF FORMULA II, RO-C( HORIZONTAL-LINE O)-CH(R1)(R2), WHERE R IS ALKYL OR HYDROGEN, WITH AN ARYLMETHYLTHIO COMOPUND; REPLACING GROUP RO-WITH XONX- AND OXIDIZING SYNTEX (U.S.A.) LLP 2002-07-16 US disclosed
US-20020038037-A1 Processes for preparing 3-arylsulfur hydroxamic acids SYNTEX (U.S.A.) INC. (US) 2002-03-28 US disclosed
US-6342639-B1 ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES SYNTEX (U.S.A.) LLC 2002-01-29 US disclosed
EP-0965592-A1 Process for preparing 3-arylsulfur hydroxamic acids F. HOFFMANN-LA ROCHE AG (CH) 1999-12-22 EP 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-20020038037-A1 Processes for preparing 3-arylsulfur hydroxamic acids HAX1, ARSA, PRDX1 MMP1 4153/4885MMP13 4282/4885MMP2 4487/4885
US-20020133030-A1 Processes for preparing 3-arylsulfur hydroxamic acids HAX1, ARSA, PRDX1 MMP1 4153/4885MMP13 4282/4885MMP2 4487/4885

“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.