SCHEMBL3103442

SCHEMBL3103442

Cn1ccc(S(=O)(=O)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR6 P50406 1/20 0.35
INMT O95050 2/20 0.32

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
SCHEMBL14600514 0.79 CA12 (0.44) CA12CA1CA2CA9TDP1
SCHEMBL7468780 0.77 CA2 (0.57) CA12CA1CA2CA9TDP1
Water SCHEMBL5851690 0.74 LMNA (0.45) CA12CA1CA2CA9TDP1
SCHEMBL19296834 0.74 CA12 (0.40) CA12CA1CA2CA9HTR6
SCHEMBL13696855 0.74 SMN1; SMN2 (0.47) CA12CA1CA2CA9ALDH1A1
Water SCHEMBL5851692 0.74 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL28274645 0.72 ALDH1A1 (0.37) ALDH1A1HSD17B10TDP1
SCHEMBL31713547 0.70 HTT (0.39) ALDH1A1HSD17B10TDP1HTR6
SCHEMBL31713652 0.70 ALDH1A1 (0.34) ALDH1A1HSD17B10TDP1
SCHEMBL28063702 0.70 ALDH1A1 (0.44) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018473-A1 COMBINED DETERMINATION OF THE CONCENTRATION AND ENANTIOMERIC COMPOSITION OF CHIRAL COMPOUNDS USING SINGLE CHIROPTICAL ASSAY GEORGETOWN UNIVERSITY (US) 2023-02-16 WO disclosed
EP-2396296-B1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2016-05-25 EP disclosed
US-9096619-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-08-04 US disclosed
US-9067871-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-30 US disclosed
US-20140031331-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-01-30 US disclosed
US-8563617-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2013-10-22 US disclosed
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2013-07-18 US disclosed
EP-2396296-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-12-21 EP disclosed
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy ABBVIE INC. 2010-10-28 US disclosed
WO-2010092180-A1 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT GMBH & CO. KG (DE) 2010-08-19 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 (3 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-20140031331-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 CA12 3008/4885CA1 2239/4885CA2 590/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 CA12 3368/4885CA1 2571/4885CA2 807/4885
US-20130184238-A1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, GFPT1, BCAT1 CA12 3008/4885CA1 2239/4885CA2 590/4885

“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.