SCHEMBL3035898

SCHEMBL3035898

CC(C)(C)OC(=O)Nc1ccc2cc(C(=O)O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.49
EIF4A3 P38919 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
DAO P14920 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
IDO1 P14902 5/20 0.41
TDO2 P48775 5/20 0.41
PIN1 Q13526 1/20 0.41
GPR35 Q9HC97 1/20 0.41
JAK2 O60674 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
TBXAS1 P24557 1/20 0.39
SMAD3 P84022 1/20 0.39

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
SCHEMBL3030225 0.90 LEF1 (0.60) LEF1KDM4EMAPTDAOHPGD
SCHEMBL3031344 0.88 LEF1 (0.61) LEF1CA12CA1CA9JAK2
SCHEMBL29830077 0.85 LEF1 (0.67) LEF1KDM4EMAPTPIN1
SCHEMBL20125132 0.84 CA12 (0.47) LEF1KDM4EMAPTHPGDCA12
SCHEMBL15829456 0.83 CA12 (0.43) LEF1CA12CA1CA9JAK2
SCHEMBL3636947 0.82 MAPT (0.52) EIF4A3KDM4EMAPTDAOHPGD
SCHEMBL19885734 0.82 LEF1 (0.61) LEF1KDM4EPIN1
SCHEMBL16380894 0.81 CA12 (0.42) LEF1CA12CA1CA9JAK2
SCHEMBL3033200 0.80 EIF4A3 (0.55) EIF4A3KDM4EMAPTDAOHPGD
SCHEMBL29865102 0.80 EIF4A3 (0.55) EIF4A3KDM4EMAPTDAOHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 LEF1 1669/4885EIF4A3 1239/4885KDM4E 1070/4885

“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.