SCHEMBL322182

SCHEMBL322182

CS(=O)(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.52
LMNA P02545 2/20 0.52
PPARG P37231 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
PKM P14618 1/20 0.47
LIG1 P18858 1/20 0.47
LOX P28300 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL23314108 0.84 PKM (0.54) DAOLMNAPPARGNCOA2NCOA1
SCHEMBL15836205 0.83 LMNA (0.47) DAOLMNAPPARGNCOA2NCOA1
SCHEMBL14284027 0.82 NPSR1 (0.77) LMNAPPARGNCOA2NCOA1NPSR1
SCHEMBL3131211 0.82 F2 (0.50) DAOLMNAPPARGNCOA2NCOA1
SCHEMBL7893780 0.82 LMNA (0.46) DAOLMNAPPARGNCOA2NCOA1
SCHEMBL15851416 0.81 LMNA (0.48) DAOLMNAPPARGNCOA2NCOA1
SCHEMBL2522107 0.80 LMNA (0.49) DAOLMNAPPARGNCOA2NCOA1
SCHEMBL16237287 0.79 DAO (0.52) DAOLMNAPPARGNCOA2NCOA1
SCHEMBL312149 0.79 CA2 (0.47) DAOLMNAPPARGNCOA2NCOA1
SCHEMBL7895808 0.79 LMNA (0.47) DAOLMNAPPARGNCOA2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947310-B Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN claimed
CN-103501780-B Benzofuran-piperidine compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN claimed
CN-102958936-B The pyridine compounds condensed HOFFMAN-LA ROCHE LTD. (CH) 2015-10-21 CN claimed
CN-103501780-A Novel benzofurane-piperidine compounds HOFFMANN LA ROCHE 2014-01-08 CN claimed
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 CN claimed
CN-103261190-A Novel benzofurane compounds HOFFMANN LA ROCHE 2013-08-21 CN claimed
CN-102958936-A Anellated pyridine compounds HOFFMANN LA ROCHE 2013-03-06 CN claimed
CN-102947310-A Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors HOFFMANN LA ROCHE 2013-02-27 CN 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-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US claimed
US-7160905-B2 Hydroxyethylene compounds with Asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US claimed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US claimed
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-17 US claimed
EP-1448516-A1 HYDROXYETHYLENE COMPOUNDS WITH ASP2 INHIBITORY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP claimed
WO-2003045903-A1 HYDROXYETHYLENE COMPOUNDS WITH ASP2 INHIBITORY ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DAO 2593/4885LMNA 3403/4885PPARG 1703/4885
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 DAO 1503/4885LMNA 2503/4885PPARG 2419/4885
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity BACE2, BACE1, PSEN2 DAO 2983/4885LMNA 1392/4885PPARG 3201/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 DAO 1503/4885LMNA 2503/4885PPARG 2419/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ DAO 1273/4885LMNA 2096/4885PPARG 2681/4885

“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.