SCHEMBL5847950

SCHEMBL5847950

O=[N+]([O-])c1ccc(OC=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PTGS2 P35354 1/20 0.46
ACHE P22303 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
APP P05067 1/20 0.44
MEN1 O00255 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
SCHEMBL8433 0.81 HSPB1 (0.52) HSPB1ALDH1A1HSD17B10LMNAMAPK1
Hydrochloric Acid SCHEMBL27912110 0.79 HSPB1 (0.50) HSPB1ALDH1A1HSD17B10LMNAMAPK1
Ammonia Solution, Strong SCHEMBL27663814 0.79 HSPB1 (0.50) HSPB1ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL830158 0.79 HSPB1 (0.50) HSPB1ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL28049499 0.79 HSPB1 (0.50) HSPB1ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL13665383 0.79 HSPB1 (0.55) HSPB1ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL28049513 0.79 HSPB1 (0.50) HSPB1ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL535259 0.79 HSD17B10 (0.50) HSPB1ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL28135398 0.79 HSPB1 (0.50) HSPB1ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL132166 0.78 HSPB1 (0.48) HSPB1ALDH1A1HSD17B10LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115772105-B Synthesis method of 4-nitroanisole 厦门大学 2024-06-11 CN claimed
CN-118022724-A Bimetallic Pd-Zr/CN catalyst, preparation thereof and application thereof in hydrogenation sulfur-resistant system 浙江工业大学 2024-05-14 CN claimed
US-7138538-B2 Process for the separation of enantiomers and enantiopure reagent SOLVAY (SOCIETE ANONYME) (BE) 2006-11-21 US claimed
US-20040210060-A1 Process for the separation of enantiomers and enantiopure reagent SOLVAY S.A. (BE) 2004-10-21 US claimed
CN-119793522-A Multilayer core-shell structure catalyst and preparation method and application thereof 浙江工业大学 2025-04-11 CN disclosed
CN-115772105-B Synthesis method of 4-nitroanisole 厦门大学 2024-06-11 CN disclosed
CN-118022724-A Bimetallic Pd-Zr/CN catalyst, preparation thereof and application thereof in hydrogenation sulfur-resistant system 浙江工业大学 2024-05-14 CN disclosed
CN-117899873-A Transition metal catalyst and preparation method and application thereof 厦门大学 2024-04-19 CN disclosed
CN-117903022-A Application of zirconium hydroxide as catalyst in preparing sulfoxide and sulfone by selective catalytic oxidation of thioether 兰州大学 2024-04-19 CN disclosed
CN-117138798-A Composite material of carbon-coated nickel-palladium alloy nano particles, and preparation method and application thereof 中国石油化工股份有限公司 2023-12-01 CN disclosed
CN-115073311-B Efficient preparation of N, N ′ Synthesis method of-di (2-hydroxyethyl) aniline 河南大学 2023-05-23 CN disclosed
US-11618731-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-01 US disclosed
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-7138538-B2 Process for the separation of enantiomers and enantiopure reagent SOLVAY (SOCIETE ANONYME) (BE) 2006-11-21 US disclosed
US-20040210060-A1 Process for the separation of enantiomers and enantiopure reagent SOLVAY S.A. (BE) 2004-10-21 US disclosed
US-6743373-B1 REAGENT BASED ON ENANTIOPURE AMINO ACID IN WHICH AMINO GROUP CARRIES ACTIVATING GROUP TO FORM ACTIVE PRECURSOR OF ISOCYANATE GROUP AND CARBOXYL GROUP IS SUBSTITUTED; SEPARATION OF ENANTIOMERS HAVING FREE FUNCTIONAL GROUP SOLVAY (SOCIETE ANONYME) (BE) 2004-06-01 US disclosed
EP-1046627-B1 Enantiopure reagents and process for the separation of enantiomers SOLVAY (BE) 2004-02-11 EP disclosed
EP-1046627-A2 Enantiopure reagents and process for the separation of enantiomers SOLVAY (Société Anonyme) (BE) 2000-10-25 EP disclosed
US-4287125-A Preparation of benzenoid ethers and thioethers RHONE-POULENC INDUSTRIES (FR) 1981-09-01 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 (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-20040210060-A1 Process for the separation of enantiomers and enantiopure reagent DNPEP, DAO, ANPEP HSPB1 4202/4885ALDH1A1 685/4885HSD17B10 1333/4885
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 HSPB1 3217/4885ALDH1A1 1091/4885HSD17B10 1322/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 HSPB1 3217/4885ALDH1A1 1091/4885HSD17B10 1322/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 HSPB1 3217/4885ALDH1A1 1091/4885HSD17B10 1322/4885

“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.