SCHEMBL3977980

SCHEMBL3977980

Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.71
ALDH1A1 P00352 3/20 0.71
HTT P42858 2/20 0.71
POLB P06746 1/20 0.71
MAPT P10636 1/20 0.67
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
GAA P10253 2/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL6013980 1.00 PKM (0.71) PKMALDH1A1HTTPOLBMAPT
Bromide SCHEMBL3970603 0.98 PKM (0.69) PKMALDH1A1HTTPOLBMAPT
SCHEMBL651924 0.98 MAPT (0.69) PKMALDH1A1HTTPOLBMAPT
SCHEMBL5955341 0.98 MAPT (0.69) PKMALDH1A1HTTPOLBMAPT
SCHEMBL9122576 0.98 MAPT (0.69) PKMALDH1A1HTTPOLBMAPT
SCHEMBL8134887 0.96 MAPT (0.67) PKMALDH1A1HTTPOLBMAPT
Hydrochloric Acid SCHEMBL3244036 0.96 ALDH1A1 (0.67) PKMALDH1A1HTTPOLBMAPT
SCHEMBL8631891 0.96 MAPT (0.67) PKMALDH1A1HTTPOLBMAPT
SCHEMBL3419433 0.96 MAPT (0.67) PKMALDH1A1HTTPOLBMAPT
Propane SCHEMBL8394288 0.95 PKM (0.65) PKMALDH1A1HTTPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590952-B1 1,2-BIS-(4,7-DIMETHYL-1,4,7-TRIAZACYCLONON-1-YL)-ETHANE AND INTERMEDIATE THEREOF CATEXEL LTD (GB) 2017-01-18 EP claimed
US-8907082-B2 1,2-bis-(4,7-dimethyl-1,4,7-triazacyclonon-1-yl)-ethane and intermediate for the synthesis of same CATEXEL LIMITED (GB) 2014-12-09 US claimed
US-20130261297-A1 1,2-BIS-(4,7-DIMETHYL-1,4,7-TRIAZACYCLONON-1-YL)-ETHANE AND INTERMEDIATE FOR THE SYNTHESIS OF SAME CATEXEL LIMITED (GB) 2013-10-03 US claimed
US-12577371-B2 Oxidatively curable coating composition MILLIKEN INDUSTRIALS LIMITED (GB) 2026-03-17 US disclosed
US-20240216526-A1 PREPARATION METHOD FOR DUAL-DRUG-LINKER OF ADC AND USE THEREOF CHENGDU SCIMOUNT PHARMATECH CO., LTD. (CN) 2024-07-04 US disclosed
EP-3818115-B1 OXIDATIVELY CURABLE COATING COMPOSITION MILLIKEN INDUSTRIALS LTD (GB) 2023-11-22 EP disclosed
US-20210221975-A1 OXIDATIVELY CURABLE COATING COMPOSITION Borchers Catalyst (UK) Limited (GB) 2021-07-22 US disclosed
EP-3176155-B1 1,2-BIS-(4,7-DIMETHYL-1,4,7-TRIAZACYCLONON-1-YL)-ETHANE AND INTERMEDIATE FOR THE SYNTHESIS OF SAME CATEXEL LTD (GB) 2019-09-25 EP disclosed
EP-3176155-A1 1,2-BIS-(4,7-DIMETHYL-1,4,7-TRIAZACYCLONON-1-YL)-ETHANE AND INTERMEDIATE FOR THE SYNTHESIS OF SAME Catexel Limited (GB) 2017-06-07 EP disclosed
EP-2590952-B1 1,2-BIS-(4,7-DIMETHYL-1,4,7-TRIAZACYCLONON-1-YL)-ETHANE AND INTERMEDIATE THEREOF CATEXEL LTD (GB) 2017-01-18 EP disclosed
US-8907082-B2 1,2-bis-(4,7-dimethyl-1,4,7-triazacyclonon-1-yl)-ethane and intermediate for the synthesis of same CATEXEL LIMITED (GB) 2014-12-09 US disclosed
WO-2001062262-A1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CONCAT, LTD. (US) 2001-08-30 WO disclosed
US-6264966-B1 DEODORANTS; THERAPY FOR ORAL DISEASES CONCAT, LTD. 2001-07-24 US disclosed
US-6165996-A Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis CONCAT, INC. (US) 2000-12-26 US disclosed
EP-0955044-A2 Method of inhibiting bacterial or fungal growth using a complexing agent CONCAT LTD. (US) 1999-11-10 EP disclosed
US-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 US disclosed
EP-0841951-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT LTD. (US) 1998-05-20 EP disclosed
US-5739022-A CLEAVAGE PHOSPHORUS, OXYGEN LINKAGE FO NUCLEIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1998-04-14 US disclosed
WO-1997001360-A9 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS 1997-07-17 WO disclosed
WO-1997001360-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT, LTD. (US) 1997-01-16 WO 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-12577371-B2 Oxidatively curable coating composition TET1, JMJD6, SETDB1 PKM 3294/4885ALDH1A1 235/4885HTT 1271/4885
US-20130261297-A1 1,2-BIS-(4,7-DIMETHYL-1,4,7-TRIAZACYCLONON-1-YL)-ETHANE AND INTERMEDIATE FOR THE SYNTHESIS OF SAME DHPS, CYP51A1, BID PKM 2369/4885ALDH1A1 451/4885HTT 3156/4885
US-20240216526-A1 PREPARATION METHOD FOR DUAL-DRUG-LINKER OF ADC AND USE THEREOF SKP1, ADCY7, ERBB2 PKM 2340/4885ALDH1A1 1714/4885HTT 1527/4885

“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.