SCHEMBL330135

SCHEMBL330135

NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.72
CA1 P00915 8/20 0.72
CA2 P00918 8/20 0.72
CA9 Q16790 8/20 0.72
CA4 P22748 7/20 0.72
CA6 P23280 7/20 0.72
CA7 P43166 7/20 0.72
CA13 Q8N1Q1 7/20 0.72
CA14 Q9ULX7 7/20 0.72
CA5B Q9Y2D0 7/20 0.72
CISD1 Q9NZ45 7/20 0.72
CA3 P07451 6/20 0.72
CA5A P35218 4/20 0.72
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL2876194 0.86 CISD1 (0.72) CA12CA1CA2CA9CA4
SCHEMBL15076647 0.86 CA1 (0.72) CA12CA1CA2CA9CA4
SCHEMBL21844979 0.85 CA1 (0.51) CA12CA1CA2CA9CA4
SCHEMBL3856779 0.84 CA12 (0.54) CA12CA1CA2CA9CA4
SCHEMBL397474 0.84 CA12 (0.54) CA12CA1CA2CA9CA4
SCHEMBL31717970 0.84 CA12 (1.00) CA12CA1CA2CA9CA4
SCHEMBL574023 0.84 CA12 (1.00) CA12CA1CA2CA9CA4
SCHEMBL1489054 0.84 CA1 (0.55) CA12CA1CA2CA9CA4
SCHEMBL8574555 0.83 CA12 (0.53) CA12CA1CA2CA9CA4
Hydrochloric Acid SCHEMBL11158505 0.82 CA12 (0.96) CA12CA1CA2CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11557793-B2 Flexible all-solid-state lithium-ion secondary battery having gelable system containing lithium salt and ether compound, and preparation method thereof BEIJING NORMAL UNIVERSITY (CN) 2023-01-17 US disclosed
US-11545696-B2 Gelable system and uses thereof in lithium-air batteries, organic supercapacitors or capacitor batteries BEIJING NORMAL UNIVERSITY (CN) 2023-01-03 US disclosed
US-20220184008-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2022-06-16 US disclosed
CN-114174259-A Modulators of intracellular chloride concentration 意大利学院科技基金会 2022-03-11 CN disclosed
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 EP disclosed
WO-2020202072-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-10-08 WO disclosed
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2015-08-13 US disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
EP-1569931-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
WO-2004055011-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
US-4029787-A Basically substituted 3-sulfamoylbenzoic acid derivatives and process for their preparation HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-14 US 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 (4 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-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 CA12 1649/4885CA1 1196/4885CA2 168/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 CA12 4519/4885CA1 4845/4885CA2 4605/4885
US-20220184008-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION SLC6A1, SLC6A13, SLC6A11 CA12 2754/4885CA1 667/4885CA2 165/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 CA12 810/4885CA1 695/4885CA2 869/4885

“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.