SCHEMBL383580

SCHEMBL383580

CC(C)(C)OC(=O)NCCCCN=C=S

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 14/20 0.58
NFE2L2 Q16236 14/20 0.58
TDP1 Q9NUW8 1/20 0.57
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL5568963 0.98 TDP1 (0.59) KEAP1NFE2L2TDP1CA12CA1
SCHEMBL4394729 0.95 KEAP1 (0.55) KEAP1NFE2L2TDP1CA12CA1
SCHEMBL382722 0.89 TDP1 (0.49) KEAP1NFE2L2TDP1CA12CA1
SCHEMBL2892710 0.86 TDP1 (0.58) KEAP1NFE2L2TDP1CA12CA1
SCHEMBL7418996 0.84 TDP1 (0.61) KEAP1NFE2L2TDP1CA12CA1
SCHEMBL6998989 0.84 TDP1 (0.61) KEAP1NFE2L2TDP1CA12CA1
SCHEMBL4565127 0.83 TDP1 (0.44) KEAP1NFE2L2TDP1CA12CA1
SCHEMBL20438644 0.82 TDP1 (0.43) KEAP1NFE2L2TDP1CA12CA1
SCHEMBL3020258 0.81 TDP1 (0.81) TDP1CA12CA1CA2CA9
SCHEMBL11250194 0.81 TDP1 (0.56) KEAP1NFE2L2TDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383378-B1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2024-04-17 EP claimed
EP-3383376-B1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2021-05-12 EP claimed
EP-3383376-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) The Procter and Gamble Company (US) 2018-10-10 EP claimed
EP-3383378-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) The Procter and Gamble Company (US) 2018-10-10 EP claimed
CN-108601753-A Method for inhibiting conversion of choline to Trimethylamine (TMA) 宝洁公司 2018-09-28 CN claimed
WO-2017095995-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO claimed
WO-2017095993-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO claimed
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US claimed
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US claimed
EP-4572795-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER WITH CANCER-BINDING ADJUVANTS The University of Chicago (US) 2025-06-25 EP disclosed
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION THE JOHNS HOPKINS UNVERSITY 2025-04-10 US disclosed
US-20240400684-A1 ANTIBODY-MEDIATED DELIVERY OF CAS9 TO MAMMALIAN CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-12-05 US disclosed
EP-3383378-B1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2024-04-17 EP disclosed
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
WO-2008010000-A1 MOLECULAR DENDRITIC TRANSPORTERS NATIONAL CENTER FOR SCIENTIFIC RESEARCH (GR) 2008-01-24 WO disclosed
US-20050154039-A1 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine IPSEN PHARMA S.A.S. (FR) 2005-07-14 US disclosed
EP-1465880-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-13 EP disclosed
WO-2003045926-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-06-05 WO disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 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-20050154039-A1 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine SSTR3, SSTR1, SSTR5 KEAP1 3587/4885NFE2L2 3077/4885TDP1 4177/4885
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) HNMT, BHMT, PNMT KEAP1 167/4885NFE2L2 2060/4885TDP1 4705/4885
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION OPRM1, OPRK1, OPRL1 KEAP1 1765/4885NFE2L2 4164/4885TDP1 4498/4885
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR5, SSTR3 KEAP1 4343/4885NFE2L2 4010/4885TDP1 3676/4885
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) CRAT, CPT1A, CPT1B KEAP1 78/4885NFE2L2 1069/4885TDP1 4568/4885

“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.