SCHEMBL5573786

SCHEMBL5573786

Cc1nc(Sc2ccc(C(=O)OC(C)(C)C)cc2)ccc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CHEK2 O96017 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RHEB Q15382 2/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL4597157 0.86 ALDH1A1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL4596529 0.81 TYMS (0.44) CHEK2TDP1ALDH1A1LMNAHPGD
SCHEMBL4597860 0.80 GAA (0.38) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL5573750 0.78 ALDH1A1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL4597441 0.76 ALDH1A1 (0.39) ABCG2CA12CA1CA2CA9
SCHEMBL5196004 0.75 L3MBTL1 (0.36) TP53MAPTALDH1A1HPGDL3MBTL1
SCHEMBL5575494 0.75 NPC1 (0.37) TP53MAPTALDH1A1HPGD
SCHEMBL4597190 0.74 HAO1 (0.44) CHEK2MAPTALDH1A1LMNAERN1
SCHEMBL4597623 0.74 RXFP1 (0.38) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL4596630 0.73 CYP26A1 (0.40) CA2TP53ALDH1A1LMNAHPGD

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ABCG2 1094/4885CA12 3269/4885CA1 3985/4885

“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.