SCHEMBL5481744

SCHEMBL5481744

COc1ccc2nccc(-c3ccc(CCC(O)(CC(N)=O)C(=O)OC(C)(C)C)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
WNT3A P56704 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
SLC13A5 Q86YT5 3/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AR P10275 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
CIT O14578 1/20 0.36
TLR8 Q9NR97 2/20 0.36
NR3C2 P08235 1/20 0.36
GRM2 Q14416 1/20 0.35
DDR2 Q16832 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL2925812 0.78 MTNR1A (0.54) KDM4EENPP3ENPP1WNT3AMTNR1A
SCHEMBL20782574 0.68 ENPP3 (0.62) ENPP3ENPP1WNT3ATLR8GRM2
SCHEMBL28428417 0.66 ENPP3 (0.62) KDM4EENPP3ENPP1WNT3ATLR8
SCHEMBL10157305 0.66 PIK3CA (0.57) KDM4EENPP3ENPP1MTNR1AMTNR1B
SCHEMBL30440258 0.66 PIK3CA (0.57) KDM4EMTNR1AMTNR1BMAPK1NPSR1
SCHEMBL22407440 0.64 ENPP3 (0.56) KDM4EENPP3ENPP1WNT3AMAPK1
SCHEMBL16549227 0.64 MAP4K4 (0.50) KDM4EENPP3ENPP1MAPK1NPSR1
SCHEMBL20589395 0.63 F2RL1 (0.49) AR
SCHEMBL24009105 0.63 ENPP3 (0.64) ENPP3ENPP1WNT3ATLR8GRM2
SCHEMBL20771286 0.63 ENPP3 (0.43) ENPP3ENPP1TLR8GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 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-20070004710-A1 Antibacterial agents NQO2, NRDC, IFNG KDM4E 4544/4885ENPP3 676/4885ENPP1 577/4885

“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.