SCHEMBL4640306

SCHEMBL4640306

O=C(O)C1(CSc2ccccc2Oc2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.43
▸ MMP13 P45452 4/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP7 P09237 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ MMP10 P09238 1/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ EGLN2 Q96KS0 2/20 0.39
▸ EGLN1 Q9GZT9 2/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2409029 0.82 MMP1 (0.50) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7303606 0.73 MMP1 (0.43) MMP1MMP13MMP2MMP3MMP7
SCHEMBL6731754 0.71 USP2 (0.47) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7305973 0.71 MEN1 (0.43) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7308927 0.70 MMP1 (0.50) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7304591 0.70 MMP1 (0.64) MMP1MMP13MMP2MMP3MMP7
SCHEMBL9938067 0.70 MMP1 (0.77) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7302178 0.69 MMP1 (0.46) MMP1MMP13MMP2MMP3MMP7
SCHEMBL27463629 0.68 MMP1 (0.47) MMP1MMP13MMP2MMP3MMP7
Hydroxyamine SCHEMBL5914637 0.68 MMP1 (0.74) MMP1MMP13MMP2MMP3MMP7

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
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
CN-1388117-A Process for prodcing 3-aryl sulfate iso-hydroximic acid HOFFMANN LA ROCHE (CH) 2003-01-01 — — CN 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
CN-1240208-A Process for preparing 3-arylsulfur hydroxamic acids HOFFMANN LA ROCHE (CH) 2000-01-05 — — CN 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.

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