Sugi Predict

Sugi Predict / Compounds / SCHEMBL21802133

SCHEMBL21802133

SCHEMBL21802133

NC(N)=NCCCC[C@H](N)C(=O)O

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 9/20 0.89
▸ CYP2C19 P33261 3/20 0.89
▸ CYP1A2 P05177 2/20 0.89
▸ TSHR P16473 2/20 0.89
▸ GLA P06280 1/20 0.89
▸ NFKB1 P19838 1/20 0.89
▸ APEX1 P27695 1/20 0.89
▸ NOS1 P29475 9/20 0.73
▸ NOS3 P29474 5/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ BLM P54132 1/20 0.71
▸ DDAH1 O94760 6/20 0.69
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ CHRM2 P08172 1/20 0.61
▸ CHRM4 P08173 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ THPO P40225 1/20 0.59

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
SCHEMBL29401543 1.00 NOS2 (0.89) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL43288 1.00 NOS2 (0.89) NOS2CYP2C19CYP1A2TSHRGLA
Hydrochloric Acid SCHEMBL25365246 0.98 NOS2 (0.85) NOS2CYP2C19CYP1A2TSHRGLA
Hydrochloric Acid SCHEMBL8662504 0.98 NOS2 (0.85) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL27888576 0.98 NOS2 (0.85) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL43261 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL288835 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL288993 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL30631154 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL30679324 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118588306-A Female lower genital tract metabolite for infertility and application thereof in assisted reproduction treatment 福建省妇幼保健院 2024-09-03 — — CN claimed
EP-3169403-B9 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS INC (US) 2024-07-03 — — EP claimed
EP-3169403-B1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS INC (US) 2024-02-14 — — EP claimed
CN-116381073-A Application of biomarker in preparation of lung cancer detection reagent and method 中山大学肿瘤防治中心（中山大学附属肿瘤医院、中山大学肿瘤研究所） 2023-07-04 — — CN claimed
EP-4748847-A1 PEPTIDE COMPLEX HAVING VEGFR -2 AGONIST ACTIVITY Peptidream Inc (JP) 2026-05-27 — — EP disclosed
US-12507703-B2 Methods, devices and compositions for preserving human milk THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-12-30 — — US disclosed
EP-4667483-A1 HUMAN TRANSFERRIN RECEPTOR-BINDING PEPTIDE JCR Pharmaceuticals Co., Ltd. (JP) 2025-12-24 — — EP disclosed
US-20250361273-A1 METHODS AND COMPOSITIONS FLAGSHIP PIONEERING INNOVATIONS VII, LLC 2025-11-27 — — US disclosed
EP-4616198-A1 A METHOD OF EARLY PREDICTION OF RISK OF PRE-TERM PRE-ECLAMPSIA IN SPECIFIC POPULATION COHORTS Metabolomic Diagnostics Limited (IE) 2025-09-17 — — EP disclosed
US-20250258144-A1 METHOD OF PROCESSING A BIOLOGICAL SAMPLE Metabolomic Diagnostics Limited (IE) 2025-08-14 — — US disclosed
US-20250169516-A1 METHODS, DEVICES AND COMPOSITIONS FOR PRESERVING HUMAN MILK THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-05-29 — — US disclosed
US-12298281-B2 Method of processing a biological sample Metabolomic Diagnostics Limited (IE) 2025-05-13 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
CN-114085911-A Method for detecting tumor cells or tumor cell fragments 珠海圣美生物诊断技术有限公司 2022-02-25 — — CN disclosed
US-20220005605-A1 A SYSTEM AND METHOD OF GENERATING A MODEL TO DETECT, OR PREDICT THE RISK OF, AN OUTCOME METABOLOMIC DIAGNOSTICS LEMITED (IE) 2022-01-06 — — US disclosed
US-11124818-B2 Method for modifying microcystins and nodularins CYANO BIOTECH GMBH (DE) 2021-09-21 — — US disclosed
US-20210033619-A1 METHODS OF PREDICTING PRE TERM BIRTH FROM PREECLAMPSIA USING METABOLIC AND PROTEIN BIOMARKERS Metabolomic Diagnostics Limited (IE) 2021-02-04 — — US disclosed
US-20200377922-A1 METHOD FOR MODIFYING MICROCYSTINS AND NODULARINS CYANO BIOTECH GMBH (DE) 2020-12-03 — — US disclosed
US-20200087348-A1 MODIFIED MICROCYSTINS AND NODULARINS CYANO BIOTECH GMBH (DE) 2020-03-19 — — US disclosed
CN-110730787-A Modified microcystins and nodulotoxins 赛安诺生物技术有限责任公司 2020-01-24 — — CN 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 (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-12507703-B2 Methods, devices and compositions for preserving human milk LPL, CEL, LPO NOS2 3648/4885CYP2C19 1050/4885CYP1A2 2244/4885
US-11124818-B2 Method for modifying microcystins and nodularins NRDC, NGLY1, NLN NOS2 265/4885CYP2C19 4595/4885CYP1A2 4839/4885
US-20250361273-A1 METHODS AND COMPOSITIONS MC4R, GPR119, MC2R NOS2 3885/4885CYP2C19 3910/4885CYP1A2 3681/4885
US-20200377922-A1 METHOD FOR MODIFYING MICROCYSTINS AND NODULARINS NRDC, NGLY1, NLN NOS2 242/4885CYP2C19 4599/4885CYP1A2 4845/4885

“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.