SCHEMBL1968274

SCHEMBL1968274

CC(=O)NC1CCc2ccc(S(=O)(=O)Nc3nnc(C(C)C)s3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA9 Q16790 4/20 0.45
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 2/20 0.37
ACHE P22303 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1968271 1.00 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1HSD17B10CA1
SCHEMBL1972440 0.92 CA1 (0.55) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL12585667 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10KMT2A
SCHEMBL12585459 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10CA1CA2CA12
Hydrochloric Acid SCHEMBL1971533 0.82 ALDH1A1 (0.51) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL1969955 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10HDAC8
SCHEMBL1969957 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10HDAC8
SCHEMBL1973043 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10HDAC8
SCHEMBL2960594 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10CA1CA2CA12
Hydrochloric Acid SCHEMBL1968225 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937675-B1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2011-06-22 EP disclosed
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 MTNR1A 298/4885MTNR1B 373/4885ALDH1A1 1019/4885
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 MTNR1A 292/4885MTNR1B 365/4885ALDH1A1 1072/4885

“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.