SCHEMBL2385474

SCHEMBL2385474

COC(=O)C[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
CA7 P43166 2/20 0.50
CTSK P43235 10/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CTSS P25774 4/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL29689264 1.00 CYP2D6 (0.53) CYP2D6CA2CA1CA7CTSK
SCHEMBL1369013 1.00 CYP2D6 (0.53) CYP2D6CA2CA1CA7CTSK
SCHEMBL1369011 1.00 CYP2D6 (0.53) CYP2D6CA2CA1CA7CTSK
SCHEMBL8972253 0.91 CYP2D6 (0.63) CYP2D6CA2CA1CA7CTSK
SCHEMBL27426180 0.91 CYP2D6 (0.63) CYP2D6CA2CA1CA7CTSK
SCHEMBL8972192 0.86 CYP2D6 (0.50) CYP2D6CA2CA1CA7CTSK
SCHEMBL27437827 0.86 CYP2D6 (0.50) CYP2D6CA2CA1CA7CTSK
SCHEMBL8971704 0.85 CYP2D6 (0.53) CYP2D6CA2CA1CA7CTSK
SCHEMBL1747220 0.84 CYP1A2 (0.54) CYP2D6CA2CA1CA7CTSK
SCHEMBL84186 0.84 CYP1A2 (0.54) CYP2D6CA2CA1CA7CTSK

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
EP-4655291-A2 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS BACKGROUND Merck Sharp & Dohme LLC (US) 2025-12-03 EP disclosed
US-12246008-B2 4-amino or 4-alkoxy-substituted aryl sulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME LLC (US) 2025-03-11 US disclosed
WO-2024158653-A2 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS BACKGROUND MERCK SHARP & DOHME LLC (US) 2024-08-02 WO disclosed
US-20220000844-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2022-01-06 US disclosed
EP-3891157-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2021-10-13 EP disclosed
WO-2020117626-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO disclosed
WO-2017106409-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 US disclosed
CN-102177170-B Novel ruthenium carbonyl complex having a tridentate ligand and manufacturing method and usage thereof TAKASAGO PERFUMERY CO LTD 2014-06-11 CN disclosed
US-8471048-B2 Ruthenium carbonyl complex having tridentate ligand, its production method and use TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-06-25 US disclosed
US-8471048-B2 Ruthenium carbonyl complex having tridentate ligand, its production method and use TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-06-25 US disclosed
US-8471048-B2 Ruthenium carbonyl complex having tridentate ligand, its production method and use TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-06-25 US disclosed
US-20110237814-A1 NOVEL RUTHENIUM CARBONYL COMPLEX HAVING TRIDENTATE LIGAND, ITS PRODUCTION METHOD AND USE TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-09-29 US disclosed
US-20110237814-A1 NOVEL RUTHENIUM CARBONYL COMPLEX HAVING TRIDENTATE LIGAND, ITS PRODUCTION METHOD AND USE TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-09-29 US disclosed
CN-102177170-A Novel ruthenium carbonyl complex having a tridentate ligand and manufacturing method and usage therefor TAKASAGO PERFUMERY CO LTD 2011-09-07 CN disclosed
US-20100204274-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 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 (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-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 CYP2D6 2204/4885CA2 1628/4885CA1 302/4885
US-20220000844-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN7A, SCN1A CYP2D6 1767/4885CA2 496/4885CA1 2378/4885
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 PLA2G4A, PLA2G7, PLA2G6 CYP2D6 1577/4885CA2 3372/4885CA1 3522/4885
US-12246008-B2 4-amino or 4-alkoxy-substituted aryl sulfonamide compounds with selective activity in voltage-gated sodium channels TRPV1, SCN7A, SCN1A CYP2D6 1767/4885CA2 496/4885CA1 2378/4885
US-20100204274-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CXCR1, CCR1 CYP2D6 1987/4885CA2 3407/4885CA1 3139/4885
US-20110237814-A1 NOVEL RUTHENIUM CARBONYL COMPLEX HAVING TRIDENTATE LIGAND, ITS PRODUCTION METHOD AND USE ADH1C, ADH1A, ADH5 CYP2D6 2404/4885CA2 791/4885CA1 512/4885

“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.