SCHEMBL7078442

SCHEMBL7078442

COc1cc(NC(=C2C(=O)OC(C)(C)OC2=O)N2c3ccccc3CC2C)ccc1-c1cnco1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 0.50
AAK1 Q2M2I8 4/20 0.49
TSHR P16473 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
IMPDH1 P20839 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7075706 0.85 IMPDH2 (0.55) IMPDH2AAK1ROCK2ROCK1IMPDH1
SCHEMBL7078381 0.84 IMPDH2 (0.51) IMPDH2AAK1ROCK2ROCK1IMPDH1
SCHEMBL7075708 0.82 AAK1 (0.52) IMPDH2AAK1IMPDH1
SCHEMBL7078390 0.81 IMPDH2 (0.51) IMPDH2AAK1IMPDH1
SCHEMBL7075192 0.81 IMPDH2 (0.54) IMPDH2AAK1IMPDH1
SCHEMBL7080323 0.79 IMPDH2 (0.53) IMPDH2AAK1
SCHEMBL7132866 0.78 IMPDH2 (0.50) IMPDH2AAK1IMPDH1
SCHEMBL7077282 0.78 IMPDH2 (0.52) IMPDH2AAK1ROCK2ROCK1IMPDH1
SCHEMBL7079510 0.78 AAK1 (0.52) IMPDH2AAK1IMPDH1
SCHEMBL7078966 0.78 GPR119 (0.53) IMPDH2AAK1IMPDH1

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-20030105073-A1 Quinolone derivatives CELLTECH R&D LIMITED (GB) 2003-06-05 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-20030105073-A1 Quinolone derivatives IFNAR1, CBR1, IMPDH1 IMPDH2 8/4885AAK1 4571/4885TSHR 2782/4885

“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.