SCHEMBL4773904

SCHEMBL4773904

O=C(O)c1cn(CCCO)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.36
TYR P14679 1/20 0.36
DOHH Q9BU89 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TBXAS1 P24557 2/20 0.33
TSHR P16473 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 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
SCHEMBL7019137 0.81 KDM5A (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL8638685 0.77 KDM4E (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL6297418 0.76 CNR2 (0.38) KMT2AKDM4EHPGD
SCHEMBL11557346 0.73 CA12 (0.55) CA12CA1CA2CA9KMT2A
SCHEMBL28200636 0.71 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL3463544 0.71 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL4773772 0.71 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL7455057 0.70 KDM4E (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL15333147 0.70 NPC1 (0.45) CA12CA1CA2CA9KMT2A
SCHEMBL4770346 0.69 CPB2 (0.33) CA12CA1CA2CA9CSNK2A2

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-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 CA12 3784/4885CA1 4851/4885CA2 4755/4885

“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.