SCHEMBL2565160

SCHEMBL2565160

CCOC(=O)c1oc2c(F)cncc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HIF1A Q16665 4/20 0.33
BRAF P15056 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
MAP2K1 Q02750 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 4/20 0.32
AHR P35869 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
MLYCD O95822 1/20 0.31
PLK1 P53350 1/20 0.31

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
SCHEMBL2567820 0.88 CYP2C9 (0.34) ADORA1CYP2C9CYP2C19HDAC4HDAC6
SCHEMBL12164455 0.87 CYP2C9 (0.33) ADORA1CYP2C9CYP2C19HDAC4HDAC6
SCHEMBL4411251 0.85 MAP2K1 (0.32) MAP2K1
SCHEMBL2564950 0.81 L3MBTL1 (0.38) CYP2C9CYP2C19BRAFALDH1A1MAPT
SCHEMBL2562507 0.81 KDM4E (0.32) ADORA1CYP2C9CYP2C19HDAC4HDAC6
SCHEMBL2564378 0.80 HDAC4 (0.36) ADORA1CYP2C9CYP2C19HDAC4HDAC6
SCHEMBL2562491 0.80 HIF1A (0.44) HIF1ABRAFEIF2AK3ALDH1A1MAPT
SCHEMBL160754 0.78 BRAF (0.48) ADORA1HDAC4HDAC6HIF1ABRAF
SCHEMBL2563874 0.78 BRAF (0.41) CYP2C9CYP2C19HDAC4HDAC6BRAF
SCHEMBL2562499 0.77 KDM4E (0.51) CYP2C9CYP2C19BRAFEIF2AK3MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 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 (1 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-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 ADORA1 4229/4885CYP2C9 3803/4885CYP2C19 3597/4885

“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.