Sugi Predict

Sugi Predict / Compounds / SCHEMBL607848

SCHEMBL607848

SCHEMBL607848

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.49
▸ PPARA Q07869 9/20 0.49
▸ PPARG P37231 8/20 0.49
▸ CTSS P25774 4/20 0.48
▸ CTSK P43235 4/20 0.48
▸ PPARD Q03181 2/20 0.47
▸ ECE1 P42892 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL999894 1.00 APP (0.49) APPPPARAPPARGCTSSCTSK
SCHEMBL1486143 1.00 APP (0.49) APPPPARAPPARGCTSSCTSK
Alanine SCHEMBL5917025 0.94 APP (0.46) APPPPARAPPARGCTSSCTSK
SCHEMBL30096350 0.90 ECE1 (0.46) APPPPARAPPARGCTSSCTSK
Valine SCHEMBL5917198 0.90 ECE1 (0.46) APPPPARAPPARGCTSSCTSK
SCHEMBL7351243 0.88 CYP1A2 (0.46) APPPPARAPPARGCTSSCTSK
SCHEMBL607556 0.88 CYP1A2 (0.46) APPPPARAPPARGCTSSCTSK
SCHEMBL21638987 0.87 CTSS (0.46) PPARAPPARGCTSSCTSKPPARD
SCHEMBL21638986 0.87 CTSS (0.46) PPARAPPARGCTSSCTSKPPARD
SCHEMBL5072619 0.87 CTSS (0.44) APPPPARAPPARGCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058840-A 2-Asn-tetrahydroisoquinoline-3S-formyl-Ala, and preparation and application thereof 首都医科大学 2025-05-30 — — CN claimed
CN-120058839-A 2-Asn-tetrahydroisoquinoline-3S-formyl-Leu, and preparation and application thereof 首都医科大学 2025-05-30 — — CN claimed
CN-117510578-B TNF-alpha inhibitor 2-Asn-tetrahydroisoquinoline-3S-formyl-AA, preparation and application 首都医科大学 2025-03-28 — — CN claimed
CN-119118877-A Hydrophobic auxiliary material for assisting emulsification as well as synthesis method and application thereof 浙江智达药业有限公司 2024-12-13 — — CN claimed
CN-117603312-A Preparation method of procalcitonin 苏州天马医药集团天吉生物制药有限公司 2024-02-27 — — CN claimed
CN-117510352-A Synthesis method of D-2, 3-diaminopropionic acid 浙江永太科技股份有限公司 2024-02-06 — — CN claimed
CN-117510577-A 2-Asn-dihydroisoquinoline-3S-formyl-AA of TNF-alpha agonist, preparation and anti-tumor application 首都医科大学 2024-02-06 — — CN claimed
CN-117510578-A TNF-alpha inhibitor 2-Asn-tetrahydroisoquinoline-3S-formyl-AA, preparation and application 首都医科大学 2024-02-06 — — CN claimed
US-20230330030-A1 BIODEGRADABLE POLYMER FORMULATIONS FOR EXTENDED EFFICACY OF BOTULINUM TOXIN AKINA, INC. 2023-10-19 — — US claimed
US-11723876-B2 Biodegradable polymer formulations for extended efficacy of botulinum toxin SK JOINT VENTURES II, LLC (US) 2023-08-15 — — US claimed
EP-1556358-B1 ENANTIOSELECTIVE ALKYLATION OF TRICYCLIC COMPOUNDS SCHERING CORP (US) 2007-06-20 — — EP claimed
EP-1780203-A2 Enantioselective alkylation of tricyclic compounds SCHERING CORPORATION (US) 2007-05-02 — — EP claimed
US-20060287500-A1 Method for synthesis of C2-symmetric diamino diol mediated by titanium complexes DEVELOPMENT CENTER FOR BIOTECHNOLOGY 2006-12-21 — — US claimed
US-7049440-B2 Chemical intermediate for tricyclic compound SCHERING CORPORATION (US) 2006-05-23 — — US claimed
US-6951946-B2 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates LEXICON PHARMACEUTICALS, INC. (US) 2005-10-04 — — US claimed
EP-1556358-A2 ENANTIOSELECTIVE ALKYLATION OF TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2005-07-27 — — EP claimed
US-20050154211-A1 Large scale synthesis of 1,2,4- and 1,3,4- oxadiazole carboxylates KOLB HARTMUTH C (US) 2005-07-14 — — US claimed
US-20040122232-A1 Enantioselective process SCHERING CORPORATION 2004-06-24 — — US claimed
WO-2004031153-A2 ENANTIOSELECTIVE ALKYLATION OF TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2004-04-15 — — WO claimed
US-20040019215-A1 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates LEXICON PHARMACEUTICALS, INC. 2004-01-29 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050154211-A1 Large scale synthesis of 1,2,4- and 1,3,4- oxadiazole carboxylates OXA1L, ODC1, CYP4B1 APP 4404/4885PPARA 3642/4885PPARG 3940/4885
US-20040122232-A1 Enantioselective process CYP11B1, CYP2E1, CYP1A1 APP 2971/4885PPARA 3292/4885PPARG 2280/4885
US-20040019215-A1 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates OXA1L, ODC1, CYP4B1 APP 4404/4885PPARA 3642/4885PPARG 3940/4885
US-20060287500-A1 Method for synthesis of C2-symmetric diamino diol mediated by titanium complexes TLL2, TLL1, CTSL APP 1713/4885PPARA 3280/4885PPARG 4283/4885

“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.