SCHEMBL2724261

SCHEMBL2724261

Nc1cc(C(=O)O)cc(C2=CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ FABP7 O15540 3/20 0.41
▸ CYP11B2 P19099 1/20 0.38
▸ FABP5 Q01469 2/20 0.38
▸ FABP3 P05413 1/20 0.38
▸ PRKDC P78527 1/20 0.35
▸ PIK3CA P42336 6/20 0.35
▸ PIK3CD O00329 5/20 0.35
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DDO Q99489 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL29858668 0.83 ATAD2 (0.47) IKBKETBK1FABP7CYP11B2PRKDC
SCHEMBL30381089 0.80 NPC1 (0.45) FABP7PIK3CAPIK3CDLMNAMAPK1
SCHEMBL420951 0.78 IKBKE (0.44) IKBKETBK1FABP7FABP5FABP3
SCHEMBL3107969 0.78 FABP7 (0.53) IKBKETBK1FABP7FABP5FABP3
SCHEMBL31705648 0.78 FABP7 (0.53) IKBKETBK1FABP7FABP5FABP3
SCHEMBL2724549 0.77 ACMSD (0.48) IKBKETBK1KDM4EMEN1ALDH1A1
SCHEMBL31704858 0.77 CYP11B2 (0.51) IKBKETBK1FABP7CYP11B2PIK3CA
SCHEMBL31706135 0.77 CYP11B2 (0.51) IKBKETBK1FABP7CYP11B2PIK3CA
SCHEMBL2726495 0.76 ACMSD (0.49) IKBKETBK1KDM4EMEN1ALDH1A1
SCHEMBL22032867 0.75 PIK3CA (0.39) IKBKETBK1FABP7CYP11B2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 — — EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 — — US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 — — 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB IKBKE 2944/4885TBK1 4103/4885FABP7 3850/4885

“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.

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