SCHEMBL1133769

SCHEMBL1133769

O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.53
ALDH1A1 P00352 5/20 0.50
HTT P42858 4/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MMP1 P03956 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46

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
SCHEMBL8124976 0.94 MMP1 (0.49) PGRALDH1A1HTTMAPK1CYP3A4
Diphenylether SCHEMBL4640253 0.92 PGR (0.64) PGRALDH1A1HTTMMP1CA1
SCHEMBL9720036 0.91 HTT (0.58) PGRALDH1A1HTTMAPK1SOS1
SCHEMBL433497 0.91 HTT (0.58) PGRALDH1A1HTTMAPK1SOS1
SCHEMBL67558 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1CYP3A4MMP1CA1
SCHEMBL4829227 0.86 PGR (0.47) PGRALDH1A1HTTMAPK1MMP1
SCHEMBL10396881 0.84 ALDH1A1 (0.73) PGRALDH1A1HTTMAPK1CYP3A4
SCHEMBL809432 0.84 ALDH1A1 (0.73) PGRALDH1A1HTTMAPK1CYP3A4
SCHEMBL4374736 0.84 ALDH1A1 (0.73) PGRALDH1A1HTTMAPK1CYP3A4
SCHEMBL822784 0.84 ALDH1A1 (0.73) PGRALDH1A1HTTMAPK1CYP3A4

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524194-B2 Radiolabelled MMP selective compounds ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2013-09-03 US disclosed
US-20110171133-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2011-07-14 US disclosed
EP-2285759-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-02-23 EP disclosed
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed
WO-2009139633-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2009-11-19 WO disclosed
WO-2009139634-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2009-11-19 WO disclosed
EP-2119690-A1 Radiolabelled MMP selective compounds Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2009-11-18 EP disclosed
EP-2089365-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-08-19 EP disclosed
CN-1207734-A Metalloprotease inhibitors, pharmaceutical compositions containing them and their use as medicaments, process and intermediates for their preparation AGOURON PHARMA (US) 1999-02-10 CN disclosed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO disclosed
EP-0874830-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1998-11-04 EP disclosed
WO-1998043963-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 WO disclosed
EP-0861236-A1 CYCLIC AND HETEROCYCLIC N-SUBSTITUTED ALPHA-IMINOHYDROXAMIC AND CARBOXYLIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-02 EP disclosed
WO-1998033768-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-08-06 WO disclosed
US-5753653-A Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses AGOURON PHARMACEUTICALS, INC. (US) 1998-05-19 US disclosed
WO-1997020824-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1997-06-12 WO disclosed
WO-1997018194-A1 CYCLIC AND HETEROCYCLIC N-SUBSTITUTED α-IMINOHYDROXAMIC AND CARBOXYLIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed
US-4517354-A PROTECTIVE COATINGS PLASTICS ENGINEERING COMPANY (US) 1985-05-14 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-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 PGR 2020/4885ALDH1A1 530/4885HTT 1950/4885
US-20110171133-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS MMP1, MMP3, MMP9 PGR 1866/4885ALDH1A1 1458/4885HTT 3092/4885

“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.