SCHEMBL3048704

SCHEMBL3048704

COc1cc2c(cc1S(=O)(=O)O)CC(N)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA7 P43166 3/20 0.49
CA12 O43570 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ADRA1A P35348 1/20 0.41
FYN P06241 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
PKM P14618 1/20 0.37
GSK3B P49841 1/20 0.36
ACHE P22303 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
SCHEMBL3041826 0.78 ADRA1A (0.56) CA1CA2ADRA1AFYNALDH1A1
SCHEMBL2881079 0.77 MAPT (0.41) CA1CA2CA7ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1788805 0.77 ADRA1A (0.54) CA1CA2ADRA1AFYNALDH1A1
SCHEMBL1888725 0.76 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKMT2APKM
SCHEMBL2954454 0.75 CA1 (0.53) CA1CA2CA7CA12CA14
SCHEMBL9774295 0.74 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2APKM
SCHEMBL3906143 0.74 MAOA (0.56) CA7MAPTKMT2ADRD2DRD3
SCHEMBL24650362 0.72 KDM4E (0.47) CA1CA2ADRA1AFYNALDH1A1
SCHEMBL5314853 0.72 ADRA1A (0.48) CA1CA2ADRA1AFYNALDH1A1
SCHEMBL24650507 0.71 GAA (0.50) CA1CA2ADRA1AFYNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772257-B2 Bicyclic aryl-sulfonic acid [1,3,4]-thiadiazol-2-yl-amides, processes for their preparation, pharmaceutical compositions and methods for their use SANOFI-AVENTIS (FR) 2010-08-10 US disclosed
US-20100022603-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2010-01-28 US disclosed
US-7612104-B2 Bicyclic aryl-sulfonic acid [1,3,4]-thiadiazol-2-yl-amides, processes for their preparation, pharmaceutical compositions and methods for their use SANOFI-AVENTIS (FR) 2009-11-03 US disclosed
US-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
EP-1937675-A2 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007039174-A2 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 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 (2 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-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PPARG, PPARA, PPARD CA1 4654/4885CA2 4158/4885CA7 4407/4885
US-20100022603-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PPARG, PPARA, PPARD CA1 4600/4885CA2 4140/4885CA7 4361/4885

“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.