SCHEMBL6720181

SCHEMBL6720181

O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccccc2)c1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.85
KMT2A Q03164 10/20 0.85
PKM P14618 2/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
POLB P06746 1/20 0.63
APEX1 P27695 1/20 0.63
TP53 P04637 1/20 0.63
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
MAPT P10636 1/20 0.61
ALB P02768 1/20 0.59

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
SCHEMBL13870858 0.92 MEN1 (0.82) MEN1KMT2APKMPOLBAPEX1
SCHEMBL7450127 0.92 MEN1 (0.80) MEN1KMT2APKMHDAC2HDAC8
SCHEMBL7450555 0.92 MEN1 (1.00) MEN1KMT2APKMHDAC2HDAC8
SCHEMBL7448446 0.91 MEN1 (0.72) MEN1KMT2APKMHDAC2HDAC8
SCHEMBL14075283 0.91 MAPT (0.77) MEN1KMT2APKMHDAC2HDAC8
SCHEMBL665214 0.90 MEN1 (0.71) MEN1KMT2APKMHDAC2HDAC8
SCHEMBL29978644 0.90 MEN1 (0.71) MEN1KMT2APKMHDAC2HDAC8
SCHEMBL6722381 0.90 MEN1 (0.83) MEN1KMT2APKMPOLBAPEX1
SCHEMBL7450804 0.89 MEN1 (0.76) MEN1KMT2APKMPOLBAPEX1
SCHEMBL13870861 0.89 MEN1 (1.00) MEN1KMT2APOLBMAPT

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
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-7429677-B2 Small molecule entry inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-09-30 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 (2 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MEN1 4601/4885KMT2A 1477/4885PKM 2456/4885
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 MEN1 2859/4885KMT2A 2570/4885PKM 4396/4885

“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.