Sugi Predict

Sugi Predict / Compounds / SCHEMBL907640

SCHEMBL907640

SCHEMBL907640

CN(C)C[C@H](O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.70
▸ HTR2A P28223 2/20 0.64
▸ HRH1 P35367 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.61
▸ SLC6A2 P23975 7/20 0.60
▸ SLC6A4 P31645 7/20 0.60
▸ SLC6A3 Q01959 7/20 0.60
▸ LMNA P02545 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ RIPK1 Q13546 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL804251 1.00 AOC3 (0.70) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL907809 1.00 AOC3 (0.70) AOC3HTR2AHRH1TDP1SLC6A2
Hydrochloric Acid SCHEMBL7244349 0.98 AOC3 (0.68) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL1729047 0.89 AOC3 (0.58) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL6284970 0.84 AOC3 (0.68) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL12993183 0.84 AOC3 (0.68) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL6744933 0.83 AOC3 (1.00) AOC3LMNA
SCHEMBL20356794 0.82 AOC3 (0.59) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL22807616 0.81 AOC3 (0.63) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL9729386 0.81 AOC3 (0.63) AOC3HTR2AHRH1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 — — WO disclosed
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 — — US disclosed
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 — — US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 — — US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 — — US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 — — US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 — — US disclosed
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 — — EP disclosed
CN-107207489-A It is used as the acylamino- thiadiazoles derivative of nadph oxidase inhibitor 吉恩基奥泰克斯瑞士股份有限公司 2017-09-26 — — CN disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 — — WO disclosed
WO-2007082771-A1 CARBONYL ASYMMETRIC ALKYLATION SANDOZ AG (CH) 2007-07-26 — — WO disclosed
CN-1972950-A Stereoselective process for preparing clopidogrel RATIOPHARM GMBH (DE) 2007-05-30 — — CN disclosed
EP-1737868-A1 STEREOSELECTIVE METHOD FOR THE PRODUCTION OF CLOPIDOGREL ratiopharm GmbH (DE) 2007-01-03 — — EP disclosed
WO-2005113559-A1 STEREOSELECTIVE METHOD FOR THE PRODUCTION OF CLOPIDOGREL RATIOPHARM GMBH (DE) 2005-12-01 — — WO disclosed
EP-1589019-A1 Stereoselective process for the preparation of Clopidogrel Ratiopharm GmbH (DE) 2005-10-26 — — EP disclosed
WO-2004106269-A1 METHOD FOR PRODUCING SUBSTITUTED SHIRAL DIOLS AND DIOL-ANALOGOUS DERIVATIVES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2004-12-09 — — WO disclosed
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 — — US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 — — EP disclosed
EP-0362318-A1 2,3-DIFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-11 — — EP disclosed
WO-1989008687-A1 2,3-DIFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 — — WO 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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB AOC3 111/4885HTR2A 4176/4885HRH1 942/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB AOC3 111/4885HTR2A 4176/4885HRH1 942/4885
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C AOC3 91/4885HTR2A 2745/4885HRH1 153/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB AOC3 111/4885HTR2A 4176/4885HRH1 942/4885

“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.