SCHEMBL7952052

SCHEMBL7952052

CCC(C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALOX5 P09917 11/20 0.43
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES O14684 6/20 0.39
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL7952008 0.88 ALOX5 (0.46) HTTALOX5PTGS2ALDH1A1KDM4E
SCHEMBL7951063 0.86 ALOX5 (0.44) HTTALOX5PTGS2ALDH1A1KDM4E
SCHEMBL7952492 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP3A4L3MBTL1
SCHEMBL7944166 0.81 HTT (0.46) HTTALOX5PTGS2ALDH1A1KDM4E
SCHEMBL7944051 0.81 CA12 (0.39) ALDH1A1SMN1; SMN2CXCR2CYP1A2CYP3A4
SCHEMBL721297 0.81 ABCC8 (0.56) ALDH1A1SMN1; SMN2CXCR2CYP1A2CYP3A4
SCHEMBL7944453 0.81 L3MBTL1 (0.40) HTTALDH1A1SMN1; SMN2CXCR2CYP1A2
Water SCHEMBL7944374 0.80 L3MBTL1 (0.39) HTTALDH1A1SMN1; SMN2CXCR2CYP1A2
SCHEMBL7952627 0.79 HCAR3 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP3A4ABCC8
SCHEMBL4253574 0.78 CYP1A2 (0.35) PTGS2ALDH1A1SMN1; SMN2CXCR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1222910-A 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof NOVO NORDISK AS (DK) 1999-07-14 CN claimed
US-12209140-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-01-28 US disclosed
US-20230101009-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-03-30 US disclosed
US-11505572-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-11-22 US disclosed
US-10981951-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-04-20 US disclosed
US-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-11 US disclosed
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2017-01-05 US disclosed
EP-3099304-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA Mayo Foundation for Medical Education and Research (US) 2016-12-07 EP disclosed
WO-2015117024-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-08-06 WO disclosed
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 US disclosed
CN-1222910-A 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof NOVO NORDISK AS (DK) 1999-07-14 CN disclosed
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 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 (6 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-20230101009-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 HTT 2552/4885ALOX5 1171/4885PTGS2 163/4885
US-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 HTT 2552/4885ALOX5 1171/4885PTGS2 163/4885
US-12209140-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 HTT 2552/4885ALOX5 1171/4885PTGS2 163/4885
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNK4, KCNK2 HTT 2459/4885ALOX5 1258/4885PTGS2 234/4885
US-11505572-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 HTT 2552/4885ALOX5 1171/4885PTGS2 163/4885
US-10981951-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 HTT 2552/4885ALOX5 1171/4885PTGS2 163/4885

“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.