SCHEMBL1133770

SCHEMBL1133770

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
HTT P42858 6/20 0.48
ALDH1A1 P00352 5/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 7/20 0.44
LMNA P02545 5/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
MDM2 Q00987 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SOS1 Q07889 3/20 0.42

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
SCHEMBL9720036 0.89 HTT (0.58) HTTALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL433497 0.89 HTT (0.58) HTTALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL155902 0.87 ALDH1A1 (0.55) MMP2MMP9ALDH1A1CA1CA2
SCHEMBL3669592 0.83 HTT (0.55) MMP2MMP9HTTALDH1A1CA1
SCHEMBL1133769 0.81 PGR (0.53) MMP2MMP9HTTALDH1A1CA1
SCHEMBL9536733 0.81 SOS1 (0.64) MMP2MMP9HTTALDH1A1CA1
SCHEMBL31244 0.81 SOS1 (0.64) MMP2MMP9HTTALDH1A1CA1
SCHEMBL282256 0.79 SOS1 (0.66) MMP2MMP9HTTALDH1A1CA1
SCHEMBL1133721 0.79 HTT (0.50) MMP2MMP9HTTALDH1A1CA1
SCHEMBL3913682 0.79 HTT (0.48) HTTALDH1A1SMN1; SMN2LMNAHSD17B10

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 11 patents. 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
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
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US disclosed
EP-0973748-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 2000-01-26 EP disclosed
US-5985900-A TREATING TUMOR GROWTH, INVASION OR METASTASIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CHRONIC DERMAL WOUNDS, CORNEAL ULCERATION, DEGENERATIVE SKIN DISORDERS, MULTIPLE SCLEROSIS, STROKE, ATHEROSCLEROSIS, AGOURON PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO disclosed
WO-1998043963-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 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-20110171133-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS MMP1, MMP3, MMP9 MMP2 4/4885MMP9 3/4885HTT 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.