SCHEMBL9937601

SCHEMBL9937601

CC(C)(C)OC(=O)N1CC(O)(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.46
RORC P51449 5/20 0.46
GPR119 Q8TDV5 2/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ACHE P22303 1/20 0.43
GRIN2B Q13224 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TACR1 P25103 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL16600822 0.91 GRIN2B (0.50) STSRORCGPR119OPRD1OPRK1
SCHEMBL2993411 0.89 OPRD1 (0.48) STSRORCGPR119OPRD1OPRK1
SCHEMBL25410856 0.88 SCD5 (0.46) STSRORCGPR119OPRD1OPRK1
SCHEMBL20858795 0.87 STS (0.44) STSRORCGPR119OPRD1OPRK1
SCHEMBL2951728 0.86 OPRD1 (0.53) STSGPR119OPRD1OPRK1KDM4E
SCHEMBL25133343 0.86 GPR119 (0.49) GPR119OPRD1OPRK1JAK2JAK1
SCHEMBL24362417 0.86 RORC (0.49) RORCGPR119JAK2JAK1
SCHEMBL26986851 0.84 STS (0.46) STSRORCGPR119OPRD1OPRK1
SCHEMBL13452646 0.84 SMN1; SMN2 (0.47) STSGPR119OPRD1OPRK1JAK2
SCHEMBL17726836 0.82 MEN1 (0.48) STSGPR119OPRD1OPRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458132-B2 Therapeutic compounds and compositions and their use as PKM2 modulators AGIOS PHARMACEUTICALS, INC (US) 2016-10-04 US disclosed
US-9458132-B2 Therapeutic compounds and compositions and their use as PKM2 modulators AGIOS PHARMACEUTICALS, INC (US) 2016-10-04 US disclosed
US-9458132-B2 Therapeutic compounds and compositions and their use as PKM2 modulators AGIOS PHARMACEUTICALS, INC (US) 2016-10-04 US disclosed
US-9388164-B2 Methods of using pyruvate kinase activators AGIOS PHARMACEUTICALS, INC (US) 2016-07-12 US disclosed
US-9388164-B2 Methods of using pyruvate kinase activators AGIOS PHARMACEUTICALS, INC (US) 2016-07-12 US disclosed
US-9388164-B2 Methods of using pyruvate kinase activators AGIOS PHARMACEUTICALS, INC (US) 2016-07-12 US disclosed
US-9221792-B2 N-(4-(azetidine-1-carbonyl) phenyl)-(hetero-) arylsulfonamide derivatives as pyruvate kinase M2 (PMK2) modulators AGIOS PHARMACEUTICALS, INC (US) 2015-12-29 US disclosed
US-9221792-B2 N-(4-(azetidine-1-carbonyl) phenyl)-(hetero-) arylsulfonamide derivatives as pyruvate kinase M2 (PMK2) modulators AGIOS PHARMACEUTICALS, INC (US) 2015-12-29 US disclosed
US-9221792-B2 N-(4-(azetidine-1-carbonyl) phenyl)-(hetero-) arylsulfonamide derivatives as pyruvate kinase M2 (PMK2) modulators AGIOS PHARMACEUTICALS, INC (US) 2015-12-29 US disclosed
EP-2651898-B1 NOVEL N-(4-(AZETIDINE-1-CARBONYL)PHENYL)-(HETERO-)ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS INC (US) 2015-12-09 EP disclosed
WO-2014074848-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2014-05-15 WO disclosed
WO-2014074848-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2014-05-15 WO disclosed
US-20140073625-A1 NOVEL N-(4-(AZETIDINE-1-CARBONYL) PHENYL) - (HETERO-) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC (US) 2014-03-13 US disclosed
US-20140073625-A1 NOVEL N-(4-(AZETIDINE-1-CARBONYL) PHENYL) - (HETERO-) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC (US) 2014-03-13 US disclosed
US-20140073625-A1 NOVEL N-(4-(AZETIDINE-1-CARBONYL) PHENYL) - (HETERO-) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC (US) 2014-03-13 US disclosed
EP-2651898-A1 NOVEL N- (4- (AZETIDINE - 1 - CARBONYL) PHENYL) - (HETERO - ) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS Agios Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
WO-2012151448-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012151448-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012083246-A1 NOVEL N- (4- (AZETIDINE - 1 - CARBONYL) PHENYL) - (HETERO - ) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
WO-2012083246-A1 NOVEL N- (4- (AZETIDINE - 1 - CARBONYL) PHENYL) - (HETERO - ) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2012-06-21 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 (1 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-20140073625-A1 NOVEL N-(4-(AZETIDINE-1-CARBONYL) PHENYL) - (HETERO-) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS PDK2, PDK3, PDK4 STS 2032/4885RORC 3273/4885GPR119 251/4885

“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.