SCHEMBL4596529

SCHEMBL4596529

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ERN1 O75460 1/20 0.38
GAA P10253 2/20 0.38
CTRC Q99895 1/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ESR2 Q92731 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
CCR5 P51681 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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 0.85 ALDH1A1 (0.46) TDP1ALDH1A1SMN1; SMN2ERN1GAA
SCHEMBL5572439 0.83 ALDH1A1 (0.40) TYMSTDP1ALDH1A1RXRARXRB
SCHEMBL4596630 0.82 CYP26A1 (0.40) ALDH1A1GAAKDM4EHTTHPGD
SCHEMBL5575494 0.81 NPC1 (0.37) ALDH1A1SMN1; SMN2RAB9AHTTNPC1
SCHEMBL5573786 0.81 ABCG2 (0.37) TYMSTDP1ALDH1A1ERN1CHEK2
SCHEMBL4598185 0.79 NR4A1 (0.41) ALDH1A1SMN1; SMN2GAAPOLBHPGD
SCHEMBL4597190 0.78 HAO1 (0.44) ALDH1A1ERN1POLBCHEK2LMNA
SCHEMBL4596513 0.77 MAOA (0.44) TYMSTDP1ALDH1A1SMN1; SMN2GAA
SCHEMBL4596971 0.76 CYP4F2 (0.41) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL4597623 0.75 RXFP1 (0.38) ALDH1A1SMN1; SMN2ERN1GAARAB9A

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 TYMS 2647/4885TDP1 4587/4885ALDH1A1 3484/4885

“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.