Sugi Predict

Sugi Predict / Compounds / SCHEMBL2392426

SCHEMBL2392426

SCHEMBL2392426

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ SLC7A5 Q01650 2/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GABRP O00591 2/20 0.34
▸ GABRD O14764 2/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA4 P48169 2/20 0.34

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
SCHEMBL27419703 0.82 CYP2D6 (0.41) NOS1NOS3NOS2SLC7A5CYP2D6
SCHEMBL4706239 0.82 CYP2D6 (0.41) NOS1NOS3NOS2SLC7A5CYP2D6
SCHEMBL333966 0.82 CYP2D6 (0.41) NOS1NOS3NOS2SLC7A5CYP2D6
SCHEMBL31301833 0.81 ANPEP (0.38) NOS1NOS3NOS2CYP2D6SLC1A1
SCHEMBL1411236 0.80 SLC1A1 (0.52) SLC7A5SLC1A1MEN1GAAKMT2A
SCHEMBL172526 0.80 SLC1A1 (0.52) SLC7A5SLC1A1MEN1GAAKMT2A
SCHEMBL130831 0.80 SLC1A1 (0.52) SLC7A5SLC1A1MEN1GAAKMT2A
SCHEMBL13533691 0.80 CYP2D6 (0.41) NOS1NOS3NOS2CYP2D6MEN1
SCHEMBL12310256 0.80 CYP2D6 (0.41) NOS1NOS3NOS2CYP2D6MEN1
SCHEMBL1555914 0.80 GABRP (0.50) NOS1NOS3NOS2CYP2D6SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 — — WO claimed
US-12612407-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist BEONE MEDICINES I GMBH (CH) 2026-04-28 — — US disclosed
US-20260098018-A1 BICYCLIC 1,4-DIAZEPANONES AND THERAPEUTIC USES THEREOF CYTOKINETICS INC (US) 2026-04-09 — — US disclosed
US-12441691-B2 Bicyclic 1,4-diazepanones and therapeutic uses thereof CYTOKINETICS, INC. (US) 2025-10-14 — — US disclosed
US-20240368091-A1 BICYCLIC 1,4-DIAZEPANONES AND THERAPEUTIC USES THEREOF CYTOKINETICS, INC. 2024-11-07 — — US disclosed
EP-3773563-B1 PRODRUGS OF FUSED-BICYCLIC C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2024-10-16 — — EP disclosed
WO-2024193527-A1 PYRROLO[2,3-C]PYRIDINE COMPOUND AS BROMODOMAIN INHIBITOR 山东新时代药业有限公司 2024-09-26 — — WO disclosed
US-11981644-B2 Bicyclic 1,4-diazepanones and therapeutic uses thereof CYTOKINETICS, INC. (US) 2024-05-14 — — US disclosed
EP-3921319-B1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE LTD (KY) 2024-03-06 — — EP disclosed
CN-117143114-B BRD4 and Src double-target inhibitor and preparation method and application thereof 深圳大学 2024-02-20 — — CN disclosed
EP-0524553-A1 Acylmercaptoalkanoyldipeptides, methods of preparation and their therapeutic use INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-01-27 — — EP disclosed
US-5140044-A Antitumor and -carcinogenic agents; protein kinase C inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-18 — — US disclosed
EP-0474273-A2 A polypeptide capable of interacting with thrombin Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-11 — — EP disclosed
EP-0390181-A2 Perylenequinone (UCN-1028D) derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-03 — — EP disclosed
US-4514332-A Tetrapeptide adamantyl amides G. D. SEARLE & CO. (US) 1985-04-30 — — US disclosed
EP-0000063-B1 DIPEPTIDE DERIVATIVES OF 7-(N-ALPHA-SUBSTITUTED OR NON-SUBSTITUTED X-ARGINYL)-AMINO-4-METHYL-COUMARIN AJINOMOTO CO., INC. (JP) 1981-06-10 — — EP disclosed
US-4215047-A FLUOROGENIC SUBSTRATES FOR DETERMINING ENZYMATIC ACTIVITIES AJINOMOTO COMPANY INCORPORATED (JP) 1980-07-29 — — US disclosed
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 — — US disclosed
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 — — US disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 — — 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 (5 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-20240368091-A1 BICYCLIC 1,4-DIAZEPANONES AND THERAPEUTIC USES THEREOF MYLK2, MUSK, MYLK NOS1 2999/4885NOS3 3002/4885NOS2 3742/4885
US-12612407-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist TLR7, TLR8, TLR1 NOS1 2243/4885NOS3 2333/4885NOS2 2666/4885
US-12441691-B2 Bicyclic 1,4-diazepanones and therapeutic uses thereof MYLK2, MUSK, MYLK NOS1 2999/4885NOS3 3002/4885NOS2 3742/4885
US-11981644-B2 Bicyclic 1,4-diazepanones and therapeutic uses thereof MYLK2, MUSK, MYLK NOS1 2933/4885NOS3 3004/4885NOS2 3749/4885
US-20260098018-A1 BICYCLIC 1,4-DIAZEPANONES AND THERAPEUTIC USES THEREOF MYLK2, TNNT2, RYR1 NOS1 1372/4885NOS3 1322/4885NOS2 2486/4885

“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.