SCHEMBL3902857

SCHEMBL3902857

COc1ccc2c(ccn2C(=O)OC(C)(C)C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
HTR6 P50406 1/20 0.39
BUB1 O43683 1/20 0.38
PDE4B Q07343 4/20 0.36
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
BCHE P06276 1/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
BRD4 O60885 1/20 0.34
STS P08842 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL299986 0.85 HTR6 (0.38) L3MBTL1HTR6BUB1PDE4BPDE4A
SCHEMBL28685399 0.83 TUBB1 (0.36) L3MBTL1PPARGPPARDPPARANOTUM
SCHEMBL20993642 0.83 HTR6 (0.39) L3MBTL1HTR6BUB1PDE4BPDE4A
SCHEMBL29992759 0.82 FABP4 (0.46) L3MBTL1HTR6BUB1BCHEBRD4
SCHEMBL8211914 0.82 FABP4 (0.46) L3MBTL1HTR6BUB1BCHEBRD4
SCHEMBL3902984 0.81 PPARG (0.39) L3MBTL1PPARGPPARDPPARANOTUM
SCHEMBL23863654 0.78 BUB1 (0.36) L3MBTL1HTR6BUB1PDE4BPDE4A
SCHEMBL17079796 0.77 GPR119 (0.38) L3MBTL1HTR6BUB1PDE4BPDE4A
SCHEMBL7345451 0.77 STS (0.38) L3MBTL1HTR6PDE4BBCHEBRD4
SCHEMBL12422261 0.76 NOTUM (0.47) L3MBTL1HTR6BUB1BCHEBRD4

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
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 L3MBTL1 1651/4885HTR6 714/4885BUB1 1540/4885

“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.