SCHEMBL3339720

SCHEMBL3339720

CCOC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 2/20 1.00
ALDH1A1 P00352 2/20 0.81
LMNA P02545 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
HTT P42858 2/20 0.75
PKM P14618 2/20 0.75
CYP2C19 P33261 1/20 0.73
NPSR1 Q6W5P4 1/20 0.69
POLB P06746 1/20 0.64
RAB9A P51151 1/20 0.64
MAPK1 P28482 1/20 0.64

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
SCHEMBL2476165 0.89 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6237506 0.87 ALDH1A1 (0.81) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL5251827 0.87 ALDH1A1 (0.81) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6948417 0.87 ALDH1A1 (0.81) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL7510989 0.86 KMT2A (0.82) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6792419 0.85 KMT2A (0.88) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL4714672 0.85 LMNA (0.82) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL612760 0.85 CYP2C19 (1.00) KMT2AMEN1ALDH1A1HTTCYP2C19
SCHEMBL12101129 0.85 PKM (0.75) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL24072635 0.84 RAB9A (0.76) KMT2AMEN1ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-04-20 US disclosed
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-05-09 US disclosed
EP-3456711-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-03-20 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-5618830-A TREATING INFLUENZA, PREVENTING INFECTION BY INFLUENZA VIRUS MERCK & CO., INC. (US) 1997-04-08 US disclosed
US-5475109-A Useful in prevention or treatment of infection by influenza virus MERCK & CO., INC. (US) 1995-12-12 US disclosed
US-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed
EP-0228893-A2 Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl group in allergy treatment A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-07-15 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 (6 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S KMT2A 3061/4885MEN1 531/4885ALDH1A1 4310/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL KMT2A 2546/4885MEN1 322/4885ALDH1A1 3214/4885
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CASP1, CASP14, CASP2 KMT2A 4574/4885MEN1 3391/4885ALDH1A1 2870/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 KMT2A 3495/4885MEN1 726/4885ALDH1A1 3430/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 KMT2A 3693/4885MEN1 989/4885ALDH1A1 3454/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 KMT2A 4574/4885MEN1 3391/4885ALDH1A1 2870/4885

“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.