SCHEMBL4773450

SCHEMBL4773450

CCOC(=O)C1=CN=CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
TSHR P16473 1/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 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
SCHEMBL10468547 0.83 TSHR (0.45) TSHRESR1MAPTKDM4ELMNA
SCHEMBL28378663 0.77 CYP1A2 (0.42) CYP1A2TSHRCA12CA1CA2
SCHEMBL5153493 0.76 TSHR (0.40) CYP1A2TSHRCA12CA1CA2
SCHEMBL9732870 0.71 CYP1A2 (0.40) CYP1A2TSHRCA12CA1CA2
SCHEMBL7019135 0.70 MAPT (0.39) CYP1A2TSHRCA12CA1CA2
SCHEMBL10707078 0.70 SMN1; SMN2 (0.39) CYP1A2TSHRCA12CA1CA2
SCHEMBL2648346 0.70 ALDH1A1 (0.37) CYP1A2TSHRCA12CA1CA2
SCHEMBL28443517 0.69 CYP1A2 (0.38) CYP1A2TSHRCA12CA1CA2
SCHEMBL6883352 0.69 POLB (0.38) CYP1A2TSHRCA12CA1CA2
SCHEMBL6885396 0.69 MAPT (0.38) CYP1A2TSHRCA12CA1CA2

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 5 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
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 CYP1A2 2271/4885TSHR 3115/4885CA12 3784/4885

“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.