SCHEMBL14845174

SCHEMBL14845174

CCn1nc(C(=O)OC)c(=O)c2cc(O)c(O)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ SRC P12931 2/20 0.39
▸ CELA1 Q9UNI1 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ PDE4A P27815 3/20 0.36
▸ PDE4B Q07343 3/20 0.36
▸ PDE4C Q08493 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PLAU P00749 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
SCHEMBL5777179 0.85 ALDH1A1 (0.48) ALDH1A1LMNATSHRKDM4EBLM
SCHEMBL17193027 0.85 ALDH1A1 (0.50) ALDH1A1LMNATSHRKDM4EBLM
SCHEMBL9319737 0.85 ALDH1A1 (0.66) ALDH1A1LMNATSHRKDM4EBLM
SCHEMBL14842265 0.85 ALDH1A1 (0.52) ALDH1A1LMNATSHRKDM4EBLM
SCHEMBL11012825 0.83 KDM4E (0.51) ALDH1A1LMNATSHRKDM4EBLM
Hydrochloric Acid SCHEMBL11012829 0.83 ALDH1A1 (0.64) ALDH1A1LMNATSHRKDM4EBLM
SCHEMBL17191900 0.82 ALDH1A1 (0.47) ALDH1A1LMNATSHRKDM4EBLM
SCHEMBL15680418 0.77 ADORA2A (0.54) ALDH1A1LMNATSHRKDM4EBLM
SCHEMBL14854366 0.76 ESR1 (0.44) ALDH1A1LMNATSHRKDM4EBLM
SCHEMBL14845123 0.75 LMNA (0.43) ALDH1A1LMNATSHRKDM4EBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 — — EP disclosed
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 — — EP disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 — — US disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 — — US disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 — — US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 — — US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 — — US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 — — US disclosed
EP-2763539-A1 ANTIBACTERIAL COMPOUNDS Glaxo Group Limited (GB) 2014-08-13 — — EP disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 — — WO disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 — — 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-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 ALDH1A1 3841/4885LMNA 3973/4885TSHR 4680/4885

“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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