SCHEMBL4706239

SCHEMBL4706239

CC(CC(=O)OC(C)(C)C)[C@@H](N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC7A5 Q01650 3/20 0.40
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIK1 P39086 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL333966 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27419703 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13516847 0.83 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26767636 0.82 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26765471 0.82 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2392426 0.82 NOS1 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4297866 0.81 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27962069 0.81 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11402093 0.81 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16689176 0.81 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102082-A1 ALKYLPHENYL SUBSTITUTED COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-14 US disclosed
US-20260091024-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD (US) 2026-04-02 US disclosed
US-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD (US) 2026-02-12 US disclosed
US-12472165-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (VG) 2025-11-18 US disclosed
US-20250332148-A1 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN THERAPEUTICS LTD (US) 2025-10-30 US disclosed
EP-4262808-B1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2025-08-13 EP disclosed
US-12297226-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2025-05-13 US disclosed
US-12295942-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (VG) 2025-05-13 US disclosed
US-20250127801-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-24 US disclosed
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO disclosed
US-8609656-B2 Heteroarylphenylurea derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-12-17 US disclosed
EP-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 US disclosed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO disclosed
EP-1724258-A1 HETEROARYLPHENYLUREA DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed
US-4148785-A Analgesic polypeptide AMERICAN HOME PRODUCTS CORPORATION (US) 1979-04-10 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-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CYP2D6 9/4885HDAC3 823/4885HDAC1 145/4885
US-20260091024-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE IL6ST, GFRA3, GFRA1 CYP2D6 9/4885HDAC3 204/4885HDAC1 325/4885
US-12297226-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, ACE CYP2D6 1594/4885HDAC3 1215/4885HDAC1 1247/4885
US-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE GFRA3, IL6ST, GFRA1 CYP2D6 9/4885HDAC3 211/4885HDAC1 328/4885
US-12472165-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CYP2D6 9/4885HDAC3 823/4885HDAC1 145/4885
US-12295942-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CYP2D6 9/4885HDAC3 823/4885HDAC1 145/4885
US-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 CYP2D6 8/4885HDAC3 289/4885HDAC1 861/4885
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use GIPR, MC2R, GRPR CYP2D6 94/4885HDAC3 218/4885HDAC1 539/4885
US-20250127801-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD CYP2D6 60/4885HDAC3 447/4885HDAC1 371/4885
US-20250332148-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CYP2D6 9/4885HDAC3 823/4885HDAC1 145/4885

“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.