SCHEMBL2589655

SCHEMBL2589655

O=S1(=O)CCNCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.45
PNMT P11086 2/20 0.45
MAOB P27338 1/20 0.45
RYR2 Q92736 1/20 0.43
HTR2C P28335 3/20 0.35
PLCG1 P19174 1/20 0.34
OXTR P30559 1/20 0.33
KEAP1 Q14145 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32

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
Hydrochloric Acid SCHEMBL5849050 0.98 CD44 (0.44) CD44PNMTMAOBRYR2HTR2C
SCHEMBL27080190 0.75 PNMT (0.50) PNMTHTR2C
SCHEMBL28463524 0.75 PNMT (0.50) PNMTHTR2C
SCHEMBL31332153 0.75 CHRNB2 (0.41) HTR2C
SCHEMBL28438076 0.75 PNMT (0.50) PNMTHTR2C
SCHEMBL31332057 0.75 CHRNB2 (0.41) HTR2C
SCHEMBL31332409 0.74 PNMT (0.36) CD44PNMTMAOBRYR2
SCHEMBL31332380 0.73 SLC40A1 (0.31) MEN1KMT2A
SCHEMBL61667 0.73 CA1 (0.47) PLCG1MEN1KMT2ANOX1
SCHEMBL30533792 0.73 CA1 (0.47) PLCG1MEN1KMT2ANOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011580-A1 COMPOUND FOR TREATING AND PREVENTING RESPIRATORY SYNCYTIAL VIRUS INFECTION DISEASES 石药集团中奇制药技术(石家庄)有限公司 2025-01-16 WO disclosed
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed
CN-118852149-A Compound for treating or preventing RSV virus diseases 石药集团中奇制药技术(石家庄)有限公司 2024-10-29 CN disclosed
CN-109879837-B Methods of preparing compounds for preventing and treating RSV 上海爱科百发生物医药技术股份有限公司 2023-06-09 CN disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
CN-111574475-B Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product 西安都创医药科技有限公司 2022-09-20 CN disclosed
WO-2021147947-A1 SYNTHESIS AND USE OF CLASS OF RESPIRATORY SYNCYTIAL VIRUS INHIBITORS 苏州爱科百发生物医药技术有限公司 2021-07-29 WO disclosed
WO-2021050612-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed
CN-111574475-A Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product 西安都创医药科技有限公司 2020-08-25 CN disclosed
US-20130090328-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE Hoffmann-La Roche Inc (US) 2013-04-11 US disclosed
US-20130090328-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE Hoffmann-La Roche Inc (US) 2013-04-11 US disclosed
EP-2563122-A1 CHEMICAL COMPOUNDS Glaxosmithkline LLC (US) 2013-03-06 EP disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
CN-1027505-C Process for preparing benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1995-01-25 CN disclosed
EP-0626952-A1 HYPOLIPIDAEMIC BENZOTHIAZEPINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-07 EP disclosed
WO-1993016055-A1 HYPOLIPIDAEMIC BENZOTHIAZEPINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 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 (1 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-20130090328-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE XDH, RNASEH1, SUCNR1 CD44 2342/4885PNMT 3908/4885MAOB 1287/4885

“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.