SCHEMBL5648243

SCHEMBL5648243

C1CSC(OOC2CCCS2)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33

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
SCHEMBL1845097 0.91
SCHEMBL1587660 0.88
SCHEMBL79191 0.81 NOS2 (0.33) NOS2
SCHEMBL15328487 0.77
SCHEMBL1146005 0.77
SCHEMBL1146008 0.77
SCHEMBL4609280 0.76
SCHEMBL78369 0.73
SCHEMBL23053041 0.71
SCHEMBL15052633 0.71 CA1 (0.33)

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174279-B Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN claimed
CN-114174279-A Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-11 CN claimed
CN-107529748-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-12-25 CN claimed
CN-114174279-B Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN disclosed
CN-114174279-A Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-11 CN disclosed
CN-113444016-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-09-28 CN disclosed
CN-107466291-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-08-20 CN disclosed
CN-107734969-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-06-01 CN disclosed
CN-107529748-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-12-25 CN disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US disclosed
EP-1395551-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US disclosed
WO-2002098849-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES ELAN PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
US-6486153-B1 Phenylindole derivatives as 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. 2002-11-26 US disclosed
WO-1999011619-A1 PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1999-03-11 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 (2 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-20030166717-A1 Hydroxy alkyl amines PSEN1, MAOA, PSEN2 NOS2 1791/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 NOS2 1695/4885

“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.