SCHEMBL1369013

SCHEMBL1369013

COC(=O)CC(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
SCHEMBL2385474 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5518903-A HYDROLYSIS OF ESTER CHISSO CORPORATION (JP) 1996-05-21 US claimed
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
EP-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 EP disclosed
CN-108349960-B Nostoc compounds and conjugates, their preparation and their therapeutic use 赛诺菲 2022-05-27 CN 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
US-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2021-06-03 US disclosed
US-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2021-06-03 US disclosed
US-20190127407-A1 TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-02 US disclosed
EP-3438113-A1 TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF Takasago International Corporation (JP) 2019-02-06 EP disclosed
EP-3371179-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2018-09-12 EP disclosed
US-9744252-B2 Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2017-08-29 US disclosed
WO-2017076998-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2017-05-11 WO disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
US-5518903-A HYDROLYSIS OF ESTER CHISSO CORPORATION (JP) 1996-05-21 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-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE XPOT, HCCS, COIL CYP2D6 1131/4885CA2 1749/4885CA1 2838/4885
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 CYP2D6 2873/4885CA2 3010/4885CA1 4464/4885
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-20190127407-A1 TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF CYP4F11, SLC39A11, CYP51A1 CYP2D6 345/4885CA2 2062/4885CA1 553/4885
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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 CYP2D6 2873/4885CA2 3010/4885CA1 4464/4885

“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.