SCHEMBL536323

SCHEMBL536323

O=S(=O)(c1ccc(Cl)cc1)C(I)I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CA2 P00918 6/20 0.50
CA1 P00915 5/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA3 P07451 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA13 Q8N1Q1 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47

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
SCHEMBL11761525 0.78 CA1 (0.46) CA2CA1CA12CA9CA14
SCHEMBL6543473 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPK1CA2CA1
SCHEMBL21818 0.76 GAA (0.54) ALDH1A1CYP3A4CA2CA1CA12
SCHEMBL5200207 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4MAPK1CA2CA1
SCHEMBL27694463 0.76 GAA (0.54) ALDH1A1CYP3A4CA2CA1CA12
SCHEMBL11764655 0.76 CA1 (0.45) ALDH1A1CA2CA1PSEN1PSEN2
SCHEMBL753122 0.76 MMP2 (0.53) MAPK1CA2CA1CA12CA9
SCHEMBL751346 0.76 TSHR (0.54) ALDH1A1CYP3A4CA2CA1CA12
SCHEMBL752935 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4MAPK1CA2CA1
SCHEMBL217302 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4MAPK1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP claimed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US claimed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2015-03-26 US claimed
EP-2094090-B1 SYNERGISTIC MICROBICIDAL COMPOSITIONS INCLUDING A CYANODITHIOCARBIMATE AND A SECOND MICROBICIDE, AND METHODS OF USING THE SAME BUCKMAN LABOR INC (US) 2015-03-11 EP claimed
CN-102497776-B Inorganic carrier materials containing nitrogen LANXESS DEUTSCHLAND GMBH 2015-02-11 CN claimed
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2014-10-09 US claimed
EP-2779830-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS Deutschland GmbH (DE) 2014-09-24 EP claimed
WO-2013072427-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2013-05-23 WO claimed
US-7943644-B2 Stabilization of iodine-containing biocides by means of special azole compounds LANXESS DEUTSCHLAND GMBH (DE) 2011-05-17 US claimed
WO-2011000794-A1 POLYMERS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS AND IODINE-CONTAINING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2011-01-06 WO claimed
EP-2270087-A1 Heterocyclic 3-ring connections and polymers containing iodine compounds LANXESS Deutschland GmbH (DE) 2011-01-05 EP claimed
WO-2010142795-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO claimed
WO-2010142790-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO claimed
US-7772156-B2 Microbicidal compositions including a cyanodithiocarbimate and a second microbicide, and methods of using the same BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2010-08-10 US claimed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US claimed
US-20030207660-A1 Surfaces with antimicrobial cured in place ACS INDUSTRIES, INC. 2003-11-06 US claimed
US-6299520-B1 Antimicrobial scrub pad ACS INDUSTRIES, INC. 2001-10-09 US claimed
WO-1999051401-A1 ANTIMICROBIAL SCRUB PAD ACS INDUSTRIES INC. (US) 1999-10-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN NISCH, INMT, TPO ALDH1A1 4286/4885CYP3A4 3762/4885MAPK1 3378/4885
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 ALDH1A1 3968/4885CYP3A4 4280/4885MAPK1 4563/4885
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone MBTD1, MPST, B2M ALDH1A1 553/4885CYP3A4 1279/4885MAPK1 3917/4885

“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.