SCHEMBL8690274

SCHEMBL8690274

CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.67
CA2 P00918 8/20 0.67
CA9 Q16790 6/20 0.67
HTT P42858 3/20 0.56
ALDH1A1 P00352 2/20 0.51
HSP90AA1 P07900 1/20 0.51
CA12 O43570 5/20 0.50
CA7 P43166 4/20 0.48
CA3 P07451 3/20 0.48
CA4 P22748 3/20 0.48
CA6 P23280 3/20 0.48
CA5A P35218 3/20 0.48
CA13 Q8N1Q1 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
HSPB1 P04792 1/20 0.48
HSD17B10 Q99714 2/20 0.48
ACHE P22303 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7113460 0.85 CA1 (0.62) CA1CA2CA9HTTALDH1A1
SCHEMBL866410 0.83 CA1 (0.71) CA1CA2CA9HTTALDH1A1
SCHEMBL14596865 0.83 CA1 (0.61) CA1CA2CA9HTTALDH1A1
SCHEMBL28498472 0.82 CA1 (0.65) CA1CA2CA9HTTALDH1A1
Potassium Ion SCHEMBL1902294 0.80 CA1 (0.67) CA1CA2CA9HTTALDH1A1
SCHEMBL4826239 0.80 CA1 (0.67) CA1CA2CA9HTTALDH1A1
SCHEMBL866411 0.80 CA1 (0.67) CA1CA2CA9HTTALDH1A1
SCHEMBL31634023 0.80 CA1 (0.67) CA1CA2CA9HTTALDH1A1
SCHEMBL11704991 0.80 CA1 (0.67) CA1CA2CA9HTTALDH1A1
SCHEMBL17318171 0.80 CA1 (0.67) CA1CA2CA9HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440452-A A kind of key intermediate 1- of almotriptan(4- amino-benzyl sulfonyls)The preparation method of pyrrolidines 嘉兴市第二医院 2018-08-24 CN claimed
US-20240158424-A1 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-05-16 US disclosed
EP-4361162-A2 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE Takasago International Corporation (JP) 2024-05-01 EP disclosed
CN-115803024-A Composition comprising arylamide derivatives 中外制药株式会社 2023-03-14 CN disclosed
CN-114929669-A Arylamide derivatives having antitumor activity 中外制药株式会社 2022-08-19 CN disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
CN-108440452-A A kind of key intermediate 1- of almotriptan(4- amino-benzyl sulfonyls)The preparation method of pyrrolidines 嘉兴市第二医院 2018-08-24 CN disclosed
CN-108440452-A A kind of key intermediate 1- of almotriptan(4- amino-benzyl sulfonyls)The preparation method of pyrrolidines 嘉兴市第二医院 2018-08-24 CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
WO-2016055947-A1 ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-04-14 WO disclosed
WO-2013054351-A1 HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2013-04-18 WO disclosed
WO-2013054351-A1 HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2013-04-18 WO disclosed
WO-1998039312-A1 STABLE ARENEDIAZONIUM SALTS, A PROCESS FOR THE PREPARATION THEREOF AND THE USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1998-09-11 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 (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-20240158424-A1 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE TDO2, SCO2, DUOX1 CA1 851/4885CA2 388/4885CA9 490/4885
US-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 CA1 383/4885CA2 2174/4885CA9 2321/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 CA1 306/4885CA2 2161/4885CA9 2147/4885

“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.