Sugi Predict

Sugi Predict / Compounds / SCHEMBL8601258

SCHEMBL8601258

SCHEMBL8601258

CC(=O)SCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.65
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAOB P27338 1/20 0.48
▸ UBE2N P61088 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ EPHX1 P07099 1/20 0.46

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
SCHEMBL15457425 0.86 IDO1 (0.70) IDO1CYP2C19CYP1A2CYP2C9MAPK1
SCHEMBL4179478 0.83 TSHR (0.56) IDO1CYP2C19CYP1A2MAPK1LMNA
SCHEMBL6562091 0.82 IDO1 (0.75) IDO1CYP2C19CYP1A2CYP2C9MAPK1
SCHEMBL1971387 0.80 TSHR (0.54) CYP2C19CYP1A2CYP2C9MAPK1LMNA
SCHEMBL9472602 0.79 TSHR (0.51) IDO1CYP1A2MAPK1KMT2ATSHR
SCHEMBL1708732 0.79 IDO1 (1.00) IDO1CYP1A2MAPK1LMNAHTT
SCHEMBL17517698 0.78 CYP1A2 (0.46) IDO1CYP2C19CYP1A2CYP2C9MAPK1
Bromide SCHEMBL1282910 0.77 IDO1 (0.97) IDO1CYP1A2MAPK1LMNAHTT
Hydrochloric Acid SCHEMBL5220646 0.77 IDO1 (1.00) IDO1CYP1A2MAPK1LMNAHTT
SCHEMBL513721 0.77 CYP2C19 (0.59) IDO1CYP2C19CYP1A2CYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559735-B2 Device for detecting organophosphates PLANTVAX, INC. (US) 2026-02-24 — — US disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 — — EP disclosed
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 — — WO disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 — — US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 — — US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 — — WO disclosed
US-20220062906-A1 DEVICE FOR DETECTING ORGANOPHOSPHATES PLANTVAX, INC. (US) 2022-03-03 — — US disclosed
CN-111848467-B Preparation method of asymmetric organic persulfate compound 浙江大学 2021-07-20 — — CN disclosed
WO-2020227413-A1 DEVICE FOR DETECTING ORGANOPHOSPHATES PLANTVAX, INC. (US) 2020-11-12 — — WO disclosed
CN-111848467-A Preparation method of asymmetric organic persulfate compound 浙江大学 2020-10-30 — — CN disclosed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 — — US disclosed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 — — US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 — — US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 — — US disclosed
US-8993527-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2015-03-31 — — US disclosed
US-8993527-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2015-03-31 — — US disclosed
EP-1832577-A1 Improved prodrugs of CC-1065 analogs Sanofi-Aventis (FR) 2007-09-12 — — EP disclosed
EP-0723973-B1 Nucleoside phosphorothioate derivatives, synthesis and use thereof KING S COLLEGE LONDON (GB) 1998-10-21 — — EP disclosed
US-5708161-A Nucleoside phosphorothioate derivatives, synthesis and use thereof KING'S COLLEGE LONDON (GB) 1998-01-13 — — US disclosed
EP-0723973-A1 Nucleoside phosphorothioate derivatives, synthesis and use thereof KING'S COLLEGE LONDON (GB) 1996-07-31 — — EP 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-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF IDO1 2833/4885CYP2C19 373/4885CYP1A2 1138/4885
US-12559735-B2 Device for detecting organophosphates BCHE, LIPE, ACHE IDO1 2755/4885CYP2C19 1497/4885CYP1A2 1128/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 IDO1 1697/4885CYP2C19 2625/4885CYP1A2 3280/4885

“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.