SCHEMBL3592534

SCHEMBL3592534

CC(=O)c1c(-c2ccco2)cc(-c2cccs2)nc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ TOP1 P11387 1/20 0.43
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ TNFRSF1A P19438 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ GLA P06280 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
SCHEMBL3594101 0.92 MEN1 (0.45) POLBMEN1KMT2AGAATOP1
SCHEMBL3585056 0.87 POLB (0.39) POLBMEN1KMT2AGAATOP1
SCHEMBL3591628 0.85 ADORA2A (0.56) POLBMEN1KMT2AGAATOP1
SCHEMBL3584180 0.83 HPGDS (0.44) MEN1KMT2AADORA2AADORA1HPGDS
SCHEMBL13546176 0.82 POLB (0.35) POLBMEN1KMT2AGAAADORA2A
SCHEMBL14390899 0.82 ADORA2A (0.46) POLBMEN1KMT2AGAATOP1
SCHEMBL3581931 0.80 HPGDS (0.41) MEN1KMT2AADORA2AADORA1HPGDS
SCHEMBL3597993 0.80 TOP1 (0.57) POLBMEN1KMT2AGAATOP1
SCHEMBL3590688 0.80 ADORA2A (0.56) POLBMEN1KMT2ATOP1ADORA2A
Tromethamine SCHEMBL3585206 0.79 TNFRSF1A (0.40) MEN1KMT2AADORA2AADORA1HPGDS

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
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 POLB 66/4885MEN1 3516/4885KMT2A 728/4885

“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.

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