Sugi Predict

Sugi Predict / Compounds / SCHEMBL883397

SCHEMBL883397

SCHEMBL883397

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 2/20 0.55
▸ ITGB7 P26010 2/20 0.55
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ PPARG P37231 1/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ ACE P12821 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KLK5 Q9Y337 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL6988240 1.00 ITGA4 (0.55) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL495975 1.00 ITGA4 (0.55) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL6889410 0.96 PPARG (0.55) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL8387599 0.93 BCL2 (0.56) ITGA4ITGB7CTSLPPARGPPARA
SCHEMBL1221477 0.92 ITGA4 (0.60) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL1221478 0.92 ITGA4 (0.60) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL9073546 0.90 SMN1; SMN2 (0.52) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL26226869 0.89 CTSL (0.51) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL28629142 0.89 CTSL (0.51) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL16494897 0.88 PPARA (0.52) ITGA4ITGB7CTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085323-B Novel synthesis process of Darunavir intermediate 重庆圣华曦药业股份有限公司 2017-02-15 — — CN claimed
US-12404300-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2025-09-02 — — US disclosed
CN-113544138-B Mitochondrial targeting peptides 隐形生物治疗公司 2024-10-29 — — CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
CN-113195641-B Sulfoxonium ylide derivatives as probes for cysteine proteases 武田药品工业株式会社 2024-09-03 — — CN disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-14 — — US disclosed
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-14 — — US disclosed
US-20230279052-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-09-07 — — US disclosed
US-5451676-A Treatment of hypotension and bronchoconstriction BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-09-19 — — US disclosed
US-5274094-A Diseases or conditions mediated by platelet-activating factor; cyclization of a diamino compound with a carboxylic acid BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-12-28 — — US disclosed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 — — EP disclosed
US-5200412-A Antiinflammatory agents and antiallergens BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-04-06 — — US disclosed
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 — — WO disclosed
US-4891430-A Process for synthesizing active esters of carboxylic acids, new alpha-halogenated carbonates which are useful for this synthesis and the method of producing them SOCIETE INTERNATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-01-02 — — US disclosed
US-4351828-A N-Substituted cyclopeptide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 — — US disclosed
US-4239902-A DETERMINATION OF CATHEPSIN G BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 — — US disclosed
US-4237045-A N-substituted cyclopeptide derivatives and preparation thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1980-12-02 — — US disclosed
US-3996268-A CARBONYL-BIS (L-METHIONINE P-NITROPHENYL ESTER) AND DERIVATIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1976-12-07 — — 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 (3 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-20230279052-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES ARG2, NLN, OAT ITGA4 4653/4885ITGB7 3985/4885CTSS 1128/4885
US-12404300-B2 Mitochondria-targeting peptides SSBP1, HSPE1, IMMT ITGA4 4542/4885ITGB7 4564/4885CTSS 2109/4885
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE CTSZ, CTSF, CTSL ITGA4 4644/4885ITGB7 3545/4885CTSS 7/4885

“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.