SCHEMBL788696

SCHEMBL788696

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 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
SCHEMBL788835 0.86 NLRP3 (0.31)
SCHEMBL8485861 0.74 ALDH1A1 (0.31) ALDH1A1LMNATP53
SCHEMBL9724591 0.74 POLB (0.37) ALDH1A1
SCHEMBL11251469 0.73 PMP22 (0.38) ALDH1A1LMNATP53
SCHEMBL1045911 0.70 PTGS1 (0.36) LMNA
SCHEMBL1665110 0.69
SCHEMBL5635440 0.69 LMNA (0.39) ALDH1A1LMNATP53
SCHEMBL25333023 0.69 ALDH1A1 (0.61) ALDH1A1LMNATP53
SCHEMBL148081 0.68
SCHEMBL18280923 0.68

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 14 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-2616883-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE Ricoh Company Ltd. (JP) 2013-07-24 EP 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-2012036295-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2012-03-22 WO 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 ALDH1A1 658/4885LMNA 2406/4885TP53 277/4885
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 ALDH1A1 658/4885LMNA 2406/4885TP53 277/4885
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS PTGES2, PTGS2, PPARG ALDH1A1 1180/4885LMNA 2819/4885TP53 262/4885

“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.