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Sugi Predict / Compounds / SCHEMBL2463121

SCHEMBL2463121

SCHEMBL2463121

CCOC(=O)[C@H](CCC(C)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CTSK P43235 6/20 0.45
▸ CTSS P25774 4/20 0.45
▸ CAPN1 P07384 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL21873981 1.00 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14914482 1.00 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL30759429 0.89 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL29727304 0.89 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721300 0.88 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721298 0.88 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2301394 0.88 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL3242610 0.88 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14649972 0.88 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL475730 0.88 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 — — US disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 — — EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 — — CN disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 — — WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 — — WO disclosed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 — — US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 — — US disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 — — US disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 — — WO disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 — — US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 — — EP disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 — — US disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 — — US disclosed
US-20110301376-A1 PREPARATION OF CRYSTALLINE EZATIOSTAT HYDROCHLORIDE ANSOLVATE FORM D TELIK, INC. 2011-12-08 — — US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 — — WO disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 — — WO disclosed
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 — — 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF CYP1A2 275/4885CYP2C9 197/4885CYP2C19 377/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP1A2 4323/4885CYP2C9 3743/4885CYP2C19 3878/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 CYP1A2 4323/4885CYP2C9 3743/4885CYP2C19 3878/4885
US-20080181866-A1 Amido Anti-viral Compounds ZC3HAV1, U2SURP, ZC3HAV1L CYP1A2 1156/4885CYP2C9 1109/4885CYP2C19 1300/4885
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B CYP1A2 811/4885CYP2C9 1571/4885CYP2C19 1241/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885CYP2C9 3296/4885CYP2C19 3298/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 CYP1A2 4323/4885CYP2C9 3743/4885CYP2C19 3878/4885
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 CYP1A2 2815/4885CYP2C9 3396/4885CYP2C19 2602/4885
US-20110301376-A1 PREPARATION OF CRYSTALLINE EZATIOSTAT HYDROCHLORIDE ANSOLVATE FORM D EZR, PCSK9, PEPD CYP1A2 373/4885CYP2C9 243/4885CYP2C19 138/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CYP1A2 4323/4885CYP2C9 3743/4885CYP2C19 3878/4885

“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.