SCHEMBL4562952

SCHEMBL4562952

C=CCN1SCC(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CASP3 P42574 1/20 0.31

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
Hydrochloric Acid SCHEMBL5706493 0.98 CYP3A4 (0.37) CYP3A4CASP3
SCHEMBL29851142 0.72 CASP3 (0.41) CASP3
SCHEMBL29851111 0.68 CCNB2 (0.35)
SCHEMBL6553302 0.67
SCHEMBL7178388 0.62
SCHEMBL10749152 0.61
SCHEMBL5706489 0.61 CYP3A4 (0.37) CYP3A4CASP3
SCHEMBL7038598 0.61 CASP3 (0.54) CYP3A4CASP3
SCHEMBL29082944 0.61 CYP3A4 (0.46) CYP3A4CASP3
SCHEMBL8958844 0.61 CYP3A4 (0.46) CYP3A4CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113012-B1 Method for producing 2-alkyl-4-isothiazoline-3-one CHEMICREA INC (JP) 2006-10-11 EP claimed
US-20040186152-A1 Method for producing 2-alkyl-4-isothiazoline-3-one CHEMICREA INC. (JP) 2004-09-23 US claimed
US-6740759-B1 REACTED DI-2-AMIDOETHYL-DISULFIDE DERIVATIVE WITH CHLORINE IN DICHLOROMETHANE; INHIBITING FORMATION OF 5-CHLORO-2-ALKYL-4-ISOTHIAZOLINE-3-ONE BYPRODUCT CHEMICREA, INC. (JP) 2004-05-25 US claimed
US-20030195131-A1 Antimicrobial polymeric compositions and method of treatment using them CHEMEQ LTD. (AU) 2003-10-16 US claimed
EP-1113012-A1 Method for producing 2-alkyl-4-isothiazoline-3-one Chemicrea Inc. (JP) 2001-07-04 EP claimed
JP-4270203-A None JP disclosed
EP-3071038-B1 ENHANCED PRESERVATIVE ARCH CHEM INC (US) 2021-12-15 EP disclosed
US-20200318284-A1 Laundry Additive for Providing Antimicrobial Effects to Fabrics and Interior Surfaces of Washing Machines VAN BUSKIRK GREGORY (US) 2020-10-08 US disclosed
US-10577743-B2 Laundry additive for providing antimicrobial effects to fabrics and interior surfaces of washing machine VAN BUSKIRK GREGORY (US) 2020-03-03 US disclosed
US-20180298552-A9 Laundry Additive for Providing Antimicrobial Effects to Fabrics and Washing Machine Surfaces VAN BUSKIRK GREGORY (US) 2018-10-18 US disclosed
US-20150330020-A1 Laundry Additive for Providing Antimicrobial Effects to Fabrics and Washing Machine Surfaces VAN BUSKIRK GREGORY (US) 2015-11-19 US disclosed
US-7629002-B2 Antimicrobial polymeric compositions and method of treatment using them CHEMEQ LTD. (AU) 2009-12-08 US disclosed
WO-2002015693-A1 SYNERGISTIC BIOCIDAL COMPOSITION THOR GMBH (DE) 2002-02-28 WO disclosed
EP-1113012-A1 Method for producing 2-alkyl-4-isothiazoline-3-one Chemicrea Inc. (JP) 2001-07-04 EP disclosed
EP-1113012-A1 Method for producing 2-alkyl-4-isothiazoline-3-one Chemicrea Inc. (JP) 2001-07-04 EP disclosed
EP-1113012-A1 Method for producing 2-alkyl-4-isothiazoline-3-one Chemicrea Inc. (JP) 2001-07-04 EP disclosed
JP-H04270203-A ANTIMICROBIAL COMPOSITION FOR INDUSTRY SHINTO PAINT CO LTD 1992-09-25 JP disclosed
EP-0305065-A3 ISOTROPIC FABRIC SOFTENER COMPOSITION CONTAINING FABRIC MILDEWSTAT The Clorox Company (US) 1989-10-11 EP disclosed
US-4851139-A 4-ISOTHIAZOLIN-3-ONE AND SOLVENT THE CLOROX COMPANY (US) 1989-07-25 US disclosed
EP-0305065-A2 Isotropic fabric softener composition containing fabric mildewstat The Clorox Company (US) 1989-03-01 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 (5 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-20200318284-A1 Laundry Additive for Providing Antimicrobial Effects to Fabrics and Interior Surfaces of Washing Machines CUTA, MGLL, POLL CYP3A4 1020/4885CASP3 832/4885
US-10577743-B2 Laundry additive for providing antimicrobial effects to fabrics and interior surfaces of washing machine CUTA, MGLL, CD68 CYP3A4 1091/4885CASP3 825/4885
US-20180298552-A9 Laundry Additive for Providing Antimicrobial Effects to Fabrics and Washing Machine Surfaces CUTA, MGLL, POLL CYP3A4 1237/4885CASP3 633/4885
US-20040186152-A1 Method for producing 2-alkyl-4-isothiazoline-3-one HACL2, CLIC1, CLCN2 CYP3A4 1228/4885CASP3 635/4885
US-20150330020-A1 Laundry Additive for Providing Antimicrobial Effects to Fabrics and Washing Machine Surfaces CUTA, MGLL, POLL CYP3A4 1237/4885CASP3 633/4885

“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.