SCHEMBL1688838

SCHEMBL1688838

CS(=O)(=O)CCCN=C=S

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.88
LMNA P02545 1/20 0.88
TP53 P04637 1/20 0.88
NAAA Q02083 1/20 0.46
KEAP1 Q14145 5/20 0.45
NFE2L2 Q16236 5/20 0.45
MIF P14174 4/20 0.45
BACH1 O14867 2/20 0.45
MAFK O60675 2/20 0.45
EGFR P00533 1/20 0.45
PTGS2 P35354 1/20 0.45
TRPA1 O75762 8/20 0.45
GSK3B P49841 1/20 0.44

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
Erysolin SCHEMBL437996 0.93 ALDH1A1 (1.00) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL938891 0.91 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL21616877 0.91 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL21616875 0.91 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL14933788 0.91 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL25332003 0.91 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL14797843 0.91 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL18225463 0.86
SCHEMBL31350946 0.79 ALDH1A1 (0.57) ALDH1A1LMNATP53
SCHEMBL25333023 0.78 ALDH1A1 (0.61) ALDH1A1LMNATP53NAAAKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820290-B1 FUNGICIDES TO PREVENT AND CONTROL FUNGAL PATHOGENS UNIV LAUSANNE (CH) 2025-07-02 EP claimed
US-20250032470-A1 Electrophilic Androgen Receptor (AR) Antagonists for AR Downregulation and Ferroptosis Induction in Cancer Cells WAYNE STATE UNIVERSITY (US) 2025-01-30 US claimed
CN-112469279-B Fungicides for the prevention and control of fungal pathogens 洛桑大学 2022-05-31 CN claimed
US-20210106571-A1 ISOTHIOCYANATE-ANDROGEN RECEPTOR INHIBITOR CONJUGATES FOR APOPTOSIS AND/OR FERROPTOSIS INDUCTION IN CANCER CELLS WAYNE STATE UNIVERSITY (US) 2021-04-15 US claimed
EP-1313377-B1 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2015-01-21 EP claimed
US-20120237566-A1 INHIBITING STOMACH-ACID RELEASE, REDUCING INFLAMMATION AND PREVENTING AND TREATING CANCER: COMPOSITIONS AND METHODS OF USE Venture Isles, LLC (US) 2012-09-20 US claimed
US-20120208879-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS GAVISH-GALILEE BIO APPLICATIONS LTD. (IL) 2012-08-16 US claimed
US-20100260737-A1 COMBINATION BETWEEN AN ISOTHIOCYANATE AND LEVODOPA FOR PARKINSON'S DISEASE TREATMENT ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2010-10-14 US claimed
EP-2229166-A1 COMBINATION BETWEEN AN ISOTHIOCYANATE AND LEVODOPA FOR PARKINSON'S DISEASE TREATMENT Alma Mater Studiorum - Università di Bologna (IT) 2010-09-22 EP claimed
EP-2163238-A2 Compound for lightening skin tone comprising sulforaphane or sulforaphene or their derivates Henkel AG & Co. KGaA (DE) 2010-03-17 EP claimed
EP-1841320-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS S.U.L.V.E. Ltd. (IL) 2007-10-10 EP claimed
WO-2006075330-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS S.U.L.V.E. LTD. (IL) 2006-07-20 WO claimed
WO-2006065736-A2 METHOD OF EXTRACTION OF ISOTHIOCYANATES INTO OIL FROM GLUCOSINOLSATE-CONTAINING PLANTS JOHNS HOPKINS UNIVERSITY (US) 2006-06-22 WO claimed
US-20060127996-A1 Method of extraction of isothiocyanates into oil from glucosinolate-containing plants and method of producing products with oil containing isothiocyanates extracted from glucosinolate-containing plants JOHNS HOPKINS UNIVERSITY 2006-06-15 US claimed
US-20040180843-A1 Treatment of helicobacter with isothocyanates BRASSICA FOUNDATION FOR CHEMOPROTECTION RESEARCH, INC. 2004-09-16 US claimed
US-6737441-B2 PREVENTING OR TREATING PERSISTENT CHRONIC GASTRITIS, ULCERS AND/OR STOMACH CANCER Fahey, Jed W. 2004-05-18 US claimed
CN-1469711-A Treatment of helicobacter with isothiocyanates W 2004-01-21 CN claimed
EP-1313377-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES Fahey, Jed W. (US) 2003-05-28 EP claimed
US-20020151505-A1 Treatment of helicobacter with isothiocyanates FAHEY, JED W. 2002-10-17 US claimed
WO-2002015722-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2002-02-28 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-20210106571-A1 ISOTHIOCYANATE-ANDROGEN RECEPTOR INHIBITOR CONJUGATES FOR APOPTOSIS AND/OR FERROPTOSIS INDUCTION IN CANCER CELLS AR, AIFM2, GSR ALDH1A1 497/4885LMNA 4879/4885TP53 224/4885
US-20120237566-A1 INHIBITING STOMACH-ACID RELEASE, REDUCING INFLAMMATION AND PREVENTING AND TREATING CANCER: COMPOSITIONS AND METHODS OF USE SLC30A5, TRPA1, SLC30A7 ALDH1A1 1178/4885LMNA 4831/4885TP53 651/4885
US-20250032470-A1 Electrophilic Androgen Receptor (AR) Antagonists for AR Downregulation and Ferroptosis Induction in Cancer Cells AR, GSR, GPX1 ALDH1A1 478/4885LMNA 4870/4885TP53 428/4885

“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.