SCHEMBL2708593

SCHEMBL2708593

C[Si](C)(C)C#Cc1ccc2c(C(=O)O)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
TBXAS1 P24557 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
CDC25B P30305 3/20 0.40
CYP1A2 P05177 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HNF4A P41235 1/20 0.38
NR1I2 O75469 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL272700 0.85 PDE4B (0.44) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8145254 0.79 PTPN1 (0.62) PTPN1NR4A1NR4A2NR4A3TBXAS1
SCHEMBL7666237 0.77 PTPN1 (0.60) PTPN1NR4A1NR4A2NR4A3TBXAS1
SCHEMBL689994 0.77 PTPN1 (0.60) PTPN1NR4A1NR4A2NR4A3TBXAS1
SCHEMBL21856951 0.77 HNF4A (0.45) ALDH1A1HSD17B10CDC25BCYP1A2HNF4A
SCHEMBL12405224 0.74 CYP1A1 (0.50) CYP1A2CYP1A1CYP1B1
SCHEMBL12260019 0.74 CYP1A1 (0.50) CYP1A2CYP1A1CYP1B1
SCHEMBL12277725 0.74 CYP1A1 (0.50) CYP1A2CYP1A1CYP1B1
SCHEMBL7605479 0.74 ALDH1A1 (0.47) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL12405253 0.74 CYP1A2 (0.65) ALDH1A1HSD17B10HPGDCYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor NOVARTIS AG (CH) 2012-07-05 US disclosed
EP-1945217-B1 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2012-05-02 EP disclosed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 PTPN1 2181/4885NR4A1 273/4885NR4A2 227/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PTPN1 1642/4885NR4A1 3730/4885NR4A2 3536/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 PTPN1 1745/4885NR4A1 3602/4885NR4A2 3380/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 PTPN1 2181/4885NR4A1 273/4885NR4A2 227/4885

“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.