SCHEMBL788835

SCHEMBL788835

[CH2]CC(O)CCS(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 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
SCHEMBL788696 0.86 ALDH1A1 (0.31)
SCHEMBL1045911 0.78 PTGS1 (0.36)
SCHEMBL29260434 0.78 PLA2G2C (0.33) NLRP3
SCHEMBL29260368 0.72
SCHEMBL29260366 0.72
SCHEMBL29143672 0.72
SCHEMBL28758603 0.70 FFAR1 (0.53)
SCHEMBL9724591 0.69 POLB (0.37)
SCHEMBL12110144 0.68 TP53 (0.35) NLRP3
SCHEMBL27498061 0.67

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115626-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2024-04-11 US disclosed
US-11801273-B2 Compositions and methods to increase production of isothiocyanates CHURCH & DWIGHT CO., INC. (US) 2023-10-31 US disclosed
WO-2023133494-A2 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2023-07-13 WO disclosed
WO-2022140409-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2022-06-30 WO disclosed
US-20220193152-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2022-06-23 US disclosed
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS KONSTANTOPOULOS KONSTANTINOS (US) 2019-02-14 US disclosed
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS TALALAY, PAUL 2016-02-11 US disclosed
US-8927007-B2 Formulations for treatment with glucosinolates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-06 US disclosed
EP-2616061-A2 FORMULATIONS FOR TREATMENT WITH GLUCOSINOLATE Brassica Protection Products LLC (US) 2013-07-24 EP disclosed
US-20130164365-A1 FORMULATIONS FOR TREATMENT WITH GLUCOSINOLATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-27 US disclosed
WO-2012037193-A2 FORMULATIONS FOR TREATMENT WITH GLUCOSINOLATE BRASSICA PROTECTION PRODUCTS LLC (US) 2012-03-22 WO disclosed
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS JOHNS HOPKINS UNIVERSITY 2010-01-21 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 (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-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 NLRP3 3012/4885
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 NLRP3 3012/4885
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS PTGES2, PTGS2, PPARG NLRP3 2610/4885

“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.