SCHEMBL564235

SCHEMBL564235

NS(=O)(=O)c1nc2cc(O)ccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 1.00
CA1 P00915 8/20 0.77
CA4 P22748 5/20 0.77
CA12 O43570 4/20 0.77
CA14 Q9ULX7 3/20 0.77
CA5A P35218 3/20 0.77
CA9 Q16790 3/20 0.77
CA6 P23280 2/20 0.77
CA5B Q9Y2D0 2/20 0.77
CA7 P43166 3/20 0.60
DYRK1A Q13627 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
TDP1 Q9NUW8 1/20 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
SCHEMBL10924391 0.94 CA2 (0.88) CA2CA1CA4CA12CA14
SCHEMBL160105 0.87 CA2 (1.00) CA2CA1CA4CA12CA14
SCHEMBL10348111 0.81 CA2 (0.76) CA2CA1CA4CA12CA14
SCHEMBL25862169 0.81 CA2 (0.68) CA2CA1CA4CA12CA14
SCHEMBL31452866 0.80 CA2 (0.67) CA2CA1CA4CA12CA14
SCHEMBL14317794 0.80 CA2 (0.67) CA2CA1CA4CA12CA14
SCHEMBL10913170 0.76 CA2 (0.64) CA2CA1CA4CA12CA14
SCHEMBL14299650 0.76 CA2 (0.61) CA2CA1CA4CA12CA14
SCHEMBL10913446 0.76 CA2 (0.61) CA2CA1CA4CA12CA14
SCHEMBL30297744 0.75 CA2 (1.00) CA2CA1CA4CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697302-A1 COMPOUNDS FOR DIAGNOSIS, TREATMENT AND PREVENTION OF BONE INJURY AND METABOLIC DISORDERS University of Louisville Research Foundation (US) 2006-09-06 EP claimed
WO-2005066114-A1 COMPOUNDS FOR DIAGNOSIS, TREATMENT AND PREVENTION OF BONE INJURY AND METABOLIC DISORDERS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2005-07-21 WO claimed
US-20050143366-A1 Compounds for diagnosis, treatment and prevention of bone injury and metabolic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2005-06-30 US claimed
US-6313155-B1 Composition and method for treating macular disorders BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2001-11-06 US claimed
WO-2000066613-A1 BONE TARGETING AGENTS FOR OSTEOPOROSIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-11-09 WO claimed
EP-0079269-B1 HYDROXY-SUBSTITUTED-2-BENZOTHIAZOLESULFONAMIDE FOR THE TOPICAL TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1986-05-14 EP claimed
US-4454148-A 5-Hydroxy-2-benzothiazolesulfonamide for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1984-06-12 US claimed
EP-0079269-A1 Hydroxy-substituted-2-benzothiazolesulfonamide for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1983-05-18 EP claimed
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 US disclosed
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. 2012-02-09 US disclosed
US-8067414-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX S.A. (FR) 2011-11-29 US disclosed
US-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2010-09-23 US disclosed
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-08-27 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-4454148-A 5-Hydroxy-2-benzothiazolesulfonamide for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1984-06-12 US disclosed
US-4426388-A 5-Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1984-01-17 US disclosed
US-4426388-A 5-Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1984-01-17 US disclosed
EP-0091367-A2 Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1983-10-12 EP disclosed
EP-0091367-A2 Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1983-10-12 EP disclosed
EP-0079269-A1 Hydroxy-substituted-2-benzothiazolesulfonamide for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1983-05-18 EP 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 (5 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 CA2 1214/4885CA1 3679/4885CA4 2354/4885
US-20050143366-A1 Compounds for diagnosis, treatment and prevention of bone injury and metabolic disorders SOST, BMP2, BMP4 CA2 1902/4885CA1 2975/4885CA4 1429/4885
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 CA2 728/4885CA1 3330/4885CA4 2017/4885
US-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, NOS1 CA2 600/4885CA1 1530/4885CA4 2005/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 CA2 238/4885CA1 1942/4885CA4 1102/4885

“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.