SCHEMBL2565579

SCHEMBL2565579

O=C(O)N[C@@H]1C[C@H](CO)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41

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
SCHEMBL146868 0.92 ALDH1A1 (0.52) POLBALDH1A1GAACTSLCTSB
SCHEMBL12164618 0.86 KMT2A (0.50) POLBALDH1A1GAACTSLCTSB
SCHEMBL14227910 0.86 KMT2A (0.50) POLBALDH1A1GAACTSLCTSB
SCHEMBL21802063 0.83 ALDH1A1 (0.53) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL15265196 0.83 ALDH1A1 (0.53) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL376598 0.83 ALDH1A1 (0.53) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL29083371 0.83 ALDH1A1 (0.53) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL14012812 0.82 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8697857 0.82 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL12164616 0.82 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN

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 2 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
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 POLB 1195/4885PSEN1 4591/4885PSEN2 4491/4885

“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.