SCHEMBL518396

SCHEMBL518396

[CH2]c1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.42
HTR2A P28223 4/20 0.40
KCNH2 Q12809 3/20 0.38
HTR2C P28335 2/20 0.38
MMP8 P22894 3/20 0.37
MMP1 P03956 2/20 0.37
ADAM17 P78536 1/20 0.36
MAPT P10636 1/20 0.35
TXNRD1 Q16881 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
DDIT3 P35638 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL2533595 0.81 HTR2A (0.44) MMP13HTR2AKCNH2HTR2CADAM17
SCHEMBL518862 0.79 MMP13 (0.43) MMP13HTR2AKCNH2HTR2CMMP8
SCHEMBL2410434 0.77 MMP13 (0.43) MMP13HTR2AKCNH2HTR2CMMP8
SCHEMBL31713765 0.77 ALDH1A1 (0.46) MMP13HTR2AKCNH2HTR2CMMP8
SCHEMBL5761130 0.77 GAA (0.52) MMP13MMP8MMP1MAPTSMN1; SMN2
SCHEMBL518863 0.77 LMNA (0.50) MMP13HTR2AKCNH2HTR2CMMP8
SCHEMBL644453 0.77 HTR2A (0.51) MMP13HTR2AKCNH2HTR2CMMP8
SCHEMBL2412999 0.77 CA2 (0.48) MMP13HTR2AMMP8MMP1
SCHEMBL2149410 0.77 TSHR (0.52) MMP13HTR2AMMP8MMP1
SCHEMBL20636298 0.77 TDP1 (0.53) MMP13HTR2AKCNH2HTR2CMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9663496-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
CN-103201267-B AMPK-activating heterocyclic compounds and methods of use thereof 里格尔药品股份有限公司 2016-08-17 CN disclosed
US-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2016-08-11 US disclosed
US-9266856-B2 AMPK—activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-20150087673-A1 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-03-26 US disclosed
US-8987303-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
US-8980921-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-8809370-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8791136-B2 Substituted pyridine, pyridazine, pyrazine and pyrimidine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2013-10-10 US disclosed
US-20130267702-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2013-10-10 US disclosed
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 US 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 (10 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-20150087673-A1 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS PRKAG3, PRKAG1, PRKAG2 MMP13 3223/4885HTR2A 3998/4885KCNH2 3238/4885
US-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 MMP13 4588/4885HTR2A 1601/4885KCNH2 3835/4885
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same AK2, PC, PRKAG2 MMP13 4779/4885HTR2A 608/4885KCNH2 2906/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 MMP13 4588/4885HTR2A 1601/4885KCNH2 3835/4885
US-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 MMP13 4588/4885HTR2A 1601/4885KCNH2 3835/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 MMP13 4588/4885HTR2A 1601/4885KCNH2 3835/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 MMP13 4588/4885HTR2A 1601/4885KCNH2 3835/4885
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 MMP13 4588/4885HTR2A 1601/4885KCNH2 3835/4885
US-20130267702-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 MMP13 4588/4885HTR2A 1601/4885KCNH2 3835/4885
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 MMP13 4588/4885HTR2A 1601/4885KCNH2 3835/4885

“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.