SCHEMBL614784

SCHEMBL614784

NS(=O)(=O)c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CA1 P00915 9/20 0.56
CA2 P00918 9/20 0.56
CA9 Q16790 7/20 0.56
SIGMAR1 Q99720 1/20 0.56
CXCR4 P61073 7/20 0.56
MEN1 O00255 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA2C P18825 1/20 0.56
CCR2 P41597 1/20 0.56
CXCL12 P48061 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
CA12 O43570 6/20 0.53
CA7 P43166 4/20 0.52

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
SCHEMBL9514721 0.84 CA2 (0.61) KDM4EALDH1A1LMNACA1CA2
SCHEMBL722275 0.83 SIGMAR1 (0.56) LMNASIGMAR1CXCR4MEN1CHRM2
SCHEMBL27150737 0.83 HRH3 (0.64) KDM4EALDH1A1CA1CA2CA9
Hydrochloric Acid SCHEMBL29045124 0.82 CXCR4 (0.57) LMNASIGMAR1CXCR4MEN1CHRM2
SCHEMBL11123197 0.80 CA2 (0.64) ALDH1A1LMNACA1CA2CA9
SCHEMBL18173273 0.80 CA1 (0.61) ALDH1A1CA1CA2CA9CA12
Hydrochloric Acid SCHEMBL5573232 0.80 CXCR4 (0.78) LMNASIGMAR1CXCR4MEN1CHRM2
SCHEMBL1259387 0.80 CXCR4 (0.81) ALDH1A1SIGMAR1CXCR4MEN1CHRM2
SCHEMBL25145674 0.80 SIGMAR1 (0.51) LMNASIGMAR1CXCR4MEN1CHRM2
SCHEMBL2551595 0.80 TSHR (0.58) ALDH1A1SIGMAR1CXCR4MEN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106946812-B Design, synthesis and evaluation of procaspase activating compounds as personalized anticancer agents 伊利诺伊大学评议会 2020-10-09 CN disclosed
CN-106946812-A It is used as the design, synthesis and evaluation of the former activating compounds of the Caspase of customized anti-cancer medicine 伊利诺伊大学评议会 2017-07-14 CN disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
EP-2393794-B1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS UNIV ILLINOIS (US) 2017-03-22 EP disclosed
EP-2393794-B1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS UNIV ILLINOIS (US) 2017-03-22 EP disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-8778945-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-07-15 US disclosed
US-8778945-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-07-15 US disclosed
US-8778945-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-07-15 US disclosed
CN-102438998-A Design, synthesis and evaluation of procaspase activating compounds as personalized anticancer agents UNIV ILLINOIS 2012-05-02 CN disclosed
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-16 US disclosed
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-16 US disclosed
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-16 US disclosed
EP-2393794-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS The Board Of Trustees Of The UniversityOf Illinois (US) 2011-12-14 EP disclosed
WO-2010091382-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-08-12 WO disclosed
WO-2010091382-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-08-12 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 (2 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-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS CASP3, CASP6, BAX KDM4E 2112/4885ALDH1A1 892/4885LMNA 307/4885
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 KDM4E 1672/4885ALDH1A1 1256/4885LMNA 562/4885

“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.