SCHEMBL53069

SCHEMBL53069

CCC(=O)CNC(=O)C(C)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CTSK P43235 7/20 0.56
TPSAB1 Q15661 2/20 0.55
PLG P00747 1/20 0.55
PRSS1 P07477 1/20 0.55
CTSS P25774 7/20 0.53
CTSL P07711 6/20 0.53
CTSB P07858 4/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL7510804 0.88 CYP1A2 (0.60) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL9574094 0.88 CYP1A2 (0.60) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL9819553 0.88 CYP1A2 (0.60) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL26259369 0.87 CYP1A2 (0.58) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL10953796 0.87 CYP1A2 (0.61) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL10949836 0.86 CYP1A2 (0.55) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL10949832 0.86 CYP1A2 (0.55) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL26292046 0.86 CYP1A2 (0.57) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL26292050 0.86 CYP1A2 (0.57) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL4075738 0.85 CYP1A2 (0.62) CYP1A2CTSKTPSAB1PLGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
EP-2311818-B1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug NOVARTIS AG (CH) 2013-01-16 EP disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 US disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 WO disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 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 (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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B CYP1A2 2165/4885CTSK 2575/4885TPSAB1 2085/4885
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B CYP1A2 2680/4885CTSK 1466/4885TPSAB1 1562/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CYP1A2 2852/4885CTSK 1532/4885TPSAB1 1597/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B CYP1A2 2165/4885CTSK 2575/4885TPSAB1 2085/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CYP1A2 2852/4885CTSK 1532/4885TPSAB1 1597/4885

“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.