SCHEMBL3145134

SCHEMBL3145134

Cc1nn(C)cc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM5 P08912 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
Hydrochloric Acid SCHEMBL27779605 0.98 KMT2A (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL1642605 0.81 KMT2A (0.49) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL2003409 0.79 KMT2A (0.48) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL4760209 0.79 KMT2A (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL26808118 0.78 KMT2A (0.54) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL19347554 0.76 POLB (0.56) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL19913410 0.76 KMT2A (0.45) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL20260818 0.74 POLB (0.51) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL3056406 0.73 GAA (0.41) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL22455400 0.73 POLB (0.54) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739614-B1 AMINOCHROMANEs, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2017-02-22 EP claimed
US-8853196-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-07 US claimed
CN-103889968-A Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT GMBH & AMP 2014-06-25 CN claimed
CN-102083797-B Tetrahydroisoquinolines, pharmaceutical compositions containing them and their use in therapy ABBOTT GMBH & CO KG 2014-06-04 CN claimed
US-20130035323-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2013-02-07 US claimed
EP-2271625-B1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2012-09-12 EP claimed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US claimed
CN-101410116-A Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-15 CN claimed
EP-1993554-A2 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-11-26 EP claimed
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP claimed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US claimed
WO-2007081995-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO claimed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US claimed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP claimed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US claimed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 WO claimed
EP-2739614-B1 AMINOCHROMANEs, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2017-02-22 EP disclosed
US-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 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 (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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 KMT2A 2608/4885MEN1 3211/4885POLB 4315/4885
US-20130035323-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC7A1, BCAT1, AADAT KMT2A 471/4885MEN1 878/4885POLB 4022/4885
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 KMT2A 3295/4885MEN1 3006/4885POLB 3854/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 KMT2A 3295/4885MEN1 3006/4885POLB 3854/4885

“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.