SCHEMBL3514914

SCHEMBL3514914

Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALPL P05186 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
PDGFRB P09619 3/20 0.38
KDR P35968 3/20 0.38
PIK3CA P42336 8/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DGAT1 O75907 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL19297776 0.88 CA1 (0.52) CA1CA2CA9CA12CA3
SCHEMBL16913946 0.85 PIK3C3 (0.41) CA1CA2CA9CA12CA3
SCHEMBL29556988 0.85 PIK3CA (0.50) CA1CA2CA9CA12CA3
SCHEMBL1557904 0.85 PIK3CA (0.50) CA1CA2CA9CA12CA3
SCHEMBL109782 0.83 ALPL (0.52) ALPLPIK3CA
SCHEMBL9955288 0.82 PIK3CG (0.52) ALPLPDGFRBKDRPIK3CA
SCHEMBL13034959 0.82 PIK3C3 (0.35) PIK3C3PIK3CA
SCHEMBL2067368 0.81 GSK3A (0.38) CA1CA2CA9CA12CA3
SCHEMBL17946272 0.80 ALPL (0.42) CA1CA2CA9CA12CA3
SCHEMBL22447413 0.80 ALPL (0.39) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237073-A1 Novel Polymorphs and Salts GLAXO GROUP LTD (GB) 2016-08-18 US disclosed
US-9353098-B2 Polymorphs and salts GLAXO GROUP LIMITED (GB) 2016-05-31 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-20150299177-A1 Novel Polymorphs and Salts GLAXO GROUP LIMITED (GB) 2015-10-22 US disclosed
US-9102668-B2 Polymorphs and salts GLAXO GROUP LIMITED (GB) 2015-08-11 US disclosed
US-20140256721-A1 Novel Polymorphs and Salts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-11 US disclosed
US-8735390-B2 Polymorphs and salts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-05-27 US disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20130165441-A1 Novel Polymorphs and Salts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 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 (7 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-20130165441-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 CA1 3614/4885CA2 977/4885CA9 3274/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 CA1 3419/4885CA2 3382/4885CA9 2400/4885
US-20160237073-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 CA1 3614/4885CA2 977/4885CA9 3274/4885
US-20150299177-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 CA1 3614/4885CA2 977/4885CA9 3274/4885
US-20140256721-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 CA1 3614/4885CA2 977/4885CA9 3274/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CA1 4388/4885CA2 2221/4885CA9 4728/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CA1 4388/4885CA2 2221/4885CA9 4728/4885

“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.