SCHEMBL2563379

SCHEMBL2563379

COC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 1/20 0.37
PTPN1 P18031 1/20 0.36
PDE4B Q07343 1/20 0.36
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31238977 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL2563380 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL3322134 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL31234227 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL18094051 0.86 CHRM2 (0.36) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL3430924 0.86 CHRM2 (0.36) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL883348 0.86 CHRM2 (0.36) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL882930 0.86 CHRM2 (0.36) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL20729716 0.86 CHRM2 (0.36) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL883209 0.86 CHRM2 (0.36) CHRM2CHRM1CHRM3NR1H2NR1H3

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 5 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

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 CHRM2 4558/4885CHRM1 4599/4885CHRM3 4571/4885

“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.