SCHEMBL1018362

SCHEMBL1018362

CCOC(=O)CC(NC(=O)OCc1ccccc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
ITGAV P06756 1/20 0.45
CASP1 P29466 3/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
CTSK P43235 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL30500980 0.84 ITGB3 (0.50) ITGB3ITGA2BITGAVCTSKCYP2C9
SCHEMBL30500944 0.84 ITGB3 (0.50) ITGB3ITGA2BITGAVCTSKCYP2C9
SCHEMBL13738493 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAVCTSKCYP2C9
SCHEMBL13738494 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAVCTSKCYP2C9
SCHEMBL27962892 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAVCTSKCYP2C9
SCHEMBL13738491 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAVCTSKCYP2C9
SCHEMBL1072889 0.81 GPR119 (0.52) BCHEACHE
SCHEMBL12085358 0.81 ITGB3 (0.48) ITGB3ITGA2BITGAVCTSKALDH1A1
SCHEMBL6505251 0.81 HTT (0.54) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL22233607 0.80 ITGB3 (0.51) ITGB3ITGA2BITGAVCTSKCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
CN-102066338-A protein kinase inhibitors PORTOLA PHARM INC 2011-05-18 CN disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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 (2 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 ITGB3 1057/4885ITGA2B 869/4885ITGAV 2138/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 ITGB3 1057/4885ITGA2B 869/4885ITGAV 2138/4885

“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.