SCHEMBL4412867

SCHEMBL4412867

O=C(O)c1oc2ccncc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
MAP2K1 Q02750 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ELANE P08246 1/20 0.31
MCL1 Q07820 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HIF1A Q16665 1/20 0.30
TSHR P16473 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL15231504 0.90 HSD11B1 (0.34) HSD11B1PTGS1PTGS2
SCHEMBL2562491 0.85 HIF1A (0.44) HPGDSMN1; SMN2HIF1A
SCHEMBL4411251 0.77 MAP2K1 (0.32) MAP2K1
SCHEMBL160754 0.76 BRAF (0.48) HPGDSMN1; SMN2HIF1A
SCHEMBL2564931 0.75 HIF1A (0.42) HPGDSMN1; SMN2HIF1ATSHR
SCHEMBL5622336 0.72 ROCK2 (0.33) HSD11B1
SCHEMBL5008971 0.71 MCL1 (0.37) MAP2K1MCL1GAASMN1; SMN2TSHR
SCHEMBL4504937 0.70 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL4985633 0.70 MCL1 (0.54) MCL1GAAHPGDSMN1; SMN2NPSR1
SCHEMBL3878751 0.68 KDM4C (0.41) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069354-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-06-17 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
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 HSD11B1 2337/4885MAP2K1 10/4885TP53 214/4885

“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.