SCHEMBL2217027

SCHEMBL2217027

CC(=O)OC(OC(C)=O)c1cc(Cl)ncc1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
MAPK1 P28482 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30
NPC1 O15118 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
SCHEMBL28566293 0.72 ALDH1A1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL2737360 0.70 GABRA1 (0.37)
SCHEMBL2217031 0.69 GABBR2 (0.38) MEN1KMT2ANAPRT
SCHEMBL15061221 0.69 KMT2A (0.49) MEN1KMT2AALDH1A1KCNQ3KCNQ2
SCHEMBL30567639 0.67 MAPK1 (0.40) MEN1KMT2AALDH1A1KCNQ3KCNQ2
SCHEMBL5762975 0.67 MAPK1 (0.40) MEN1KMT2AALDH1A1KCNQ3KCNQ2
SCHEMBL14979284 0.67 CA12 (0.42) MEN1KMT2AALDH1A1NPC1
SCHEMBL4649720 0.66 CNR2 (0.37) ALDH1A1KCNQ3KCNQ2MAPK1NPC1
SCHEMBL10623146 0.65 TSHR (0.37) ALDH1A1
SCHEMBL16446984 0.65 CA12 (0.41) MEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 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-20070161673-A1 P38 kinase inhibitors MAPK1, MAPK7, MAP3K1 MEN1 3305/4885KMT2A 4416/4885ALDH1A1 1403/4885

“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.