SCHEMBL5138846

SCHEMBL5138846

CCCCC([N+](=O)[O-])S(=O)(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CA2 P00918 4/20 0.35
TP53 P04637 1/20 0.34
VCAM1 P19320 2/20 0.32
CA1 P00915 2/20 0.31
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28060725 0.73 ALDH1A1 (0.47) ALDH1A1CA2VCAM1
SCHEMBL9059431 0.70
SCHEMBL1415215 0.70 TP53 (0.34) ALDH1A1CA2TP53CA1CA7
SCHEMBL5199027 0.70
SCHEMBL9452613 0.69 ALDH1A1 (0.46) ALDH1A1CA2CA1
SCHEMBL1170388 0.69 ALDH1A1 (0.46) ALDH1A1CA2CA1
SCHEMBL5888772 0.69 TP53 (0.37) ALDH1A1CA2TP53CA1CA7
SCHEMBL27289489 0.69 TP53 (0.37) CA2TP53CA1CA9
SCHEMBL1170855 0.67
SCHEMBL6113068 0.67 TP53 (0.45) CA2TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858632-B1 HEAT-SENSITIVE RECORDING MATERIAL KOEHLER PAPER SE (DE) 2023-01-18 EP disclosed
CN-109790108-B Thermosensitive recording material 奥古斯特科勒纸厂欧洲公司 2022-03-01 CN disclosed
CN-108699008-B Sulfonamide derivatives and pharmaceutical compositions containing the same EA制药株式会社 2021-10-08 CN disclosed
CN-101006052-B Pyrrole derivatives as pharmaceutical agents EXELIXIS INC 2013-11-06 CN disclosed
US-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20060142612-A1 Arylsulfonamide derivatives MERCK SHARP & DOHME CORP. 2006-06-29 US disclosed
EP-1643960-A2 ARYLSULFONAMIDE DERIVATIVES Merck & Co., Inc. (US) 2006-04-12 EP disclosed
WO-2005004810-A2 ARYLSULFONAMIDE DERIVATIVES MERCK & CO., INC. (US) 2005-01-20 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-20060142612-A1 Arylsulfonamide derivatives BDKRB1, BDKRB2, LTB4R2 ALDH1A1 3142/4885CA2 3840/4885TP53 4605/4885

“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.