SCHEMBL2564950

SCHEMBL2564950

CCOC(=O)c1cncc2c(OS(=O)(=O)C(F)(F)F)c(C(=O)OCc3ccccc3)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 4/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NMT1 P30419 2/20 0.35
MAOB P27338 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35

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
SCHEMBL2562507 0.83 KDM4E (0.32) L3MBTL1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2562770 0.81 L3MBTL1 (0.44) L3MBTL1RAB9ANPC1KMT2ATDP1
SCHEMBL2565160 0.81 ADORA1 (0.36) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2567820 0.81 CYP2C9 (0.34) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12164455 0.80 CYP2C9 (0.33) RAB9ANPC1MAPK1ALDH1A1MAPT
SCHEMBL2562491 0.76 HIF1A (0.44) L3MBTL1RAB9ANPC1ALDH1A1MAPT
SCHEMBL2562264 0.74 MAP2K1 (0.40) L3MBTL1TSHRMAPTCCNB2CDK1
SCHEMBL2564378 0.74 HDAC4 (0.36) RAB9ANPC1MAPK1ALDH1A1MAPT
SCHEMBL160754 0.74 BRAF (0.48) L3MBTL1RAB9ANPC1ALDH1A1MAPT
SCHEMBL842839 0.72 KDM4E (0.39) L3MBTL1RAB9ANPC1ALDH1A1MAPT

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 8 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
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
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
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 L3MBTL1 3389/4885RAB9A 2372/4885NPC1 4038/4885

“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.