SCHEMBL4267602

SCHEMBL4267602

CC(C)CCOc1cc(NC(=O)O)nc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.49
ADORA3 P0DMS8 9/20 0.49
ADORA2A P29274 8/20 0.49
ADORA2B P29275 3/20 0.46
EPHX2 P34913 1/20 0.44
LTB4R Q15722 2/20 0.43
MAPK1 P28482 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
GALR3 O60755 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL4273262 0.84 ADORA3 (0.53) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4262285 0.81 MCL1 (0.49) LTB4RMAPK1
SCHEMBL5269568 0.81 PLA2G2A (0.48) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4263343 0.80 MCL1 (0.52) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4267571 0.79 P2RY12 (0.45) LTB4RMAPK1
SCHEMBL4267147 0.78 MEN1 (0.45) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4264891 0.77 TLR8 (0.49) ADORA1ADORA2ALTB4RMAPK1
SCHEMBL13931514 0.71 ADORA1 (0.48) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4268096 0.69 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4260774 0.69 ADORA1 (0.77) ADORA1ADORA3ADORA2AADORA2B

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
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 ADORA1 570/4885ADORA3 591/4885ADORA2A 840/4885

“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.