SCHEMBL9937172

SCHEMBL9937172

CC(C)(C)OC(=O)N1CC(NCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.50
NAMPT P43490 1/20 0.50
USP30 Q70CQ3 4/20 0.49
ACHE P22303 1/20 0.49
TACR1 P25103 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47
RORC P51449 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL696778 0.90 USP30 (0.56) STSUSP30ACHETACR1KEAP1
SCHEMBL4875893 0.90 JAK1 (0.54) STSNAMPTUSP30ACHETACR1
SCHEMBL10449417 0.90 JAK1 (0.54) STSNAMPTUSP30ACHETACR1
SCHEMBL10320157 0.90 JAK1 (0.54) STSNAMPTUSP30ACHETACR1
SCHEMBL29043109 0.90 USP30 (0.56) STSUSP30ACHETACR1KEAP1
SCHEMBL22435955 0.90 JAK1 (0.54) STSNAMPTUSP30ACHETACR1
SCHEMBL696779 0.90 USP30 (0.56) STSUSP30ACHETACR1KEAP1
SCHEMBL29577032 0.89 JAK2 (0.46) STSNAMPTUSP30ACHETACR1
SCHEMBL13641448 0.88 KMT2A (0.53) NAMPTACHEGPR119LMNA
SCHEMBL22222650 0.88 USP30 (0.62) STSUSP30ACHEKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 WO 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
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
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
US-20140155374-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-06-05 US disclosed
US-20140155374-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-06-05 US disclosed
US-20140155374-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-06-05 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 (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-20140155374-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS PCK1, PDK3, PDK2 STS 1844/4885NAMPT 490/4885USP30 3651/4885
US-20140073625-A1 NOVEL N-(4-(AZETIDINE-1-CARBONYL) PHENYL) - (HETERO-) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS PDK2, PDK3, PDK4 STS 2032/4885NAMPT 1888/4885USP30 4219/4885

“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.