SCHEMBL6722381

SCHEMBL6722381

O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.83
KMT2A Q03164 9/20 0.83
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.58
PKM P14618 1/20 0.56
APEX1 P27695 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL13870861 0.91 MEN1 (1.00) MEN1KMT2ANPC1POLB
SCHEMBL6720181 0.90 MEN1 (0.85) MEN1KMT2APOLBPKMAPEX1
SCHEMBL12431833 0.88 MEN1 (0.80) MEN1KMT2ANPC1POLBPKM
SCHEMBL13870858 0.87 MEN1 (0.82) MEN1KMT2ANPC1POLBPKM
SCHEMBL7450127 0.87 MEN1 (0.80) MEN1KMT2APOLBPKMAPEX1
SCHEMBL7450555 0.87 MEN1 (1.00) MEN1KMT2APOLBPKMAPEX1
SCHEMBL7450804 0.84 MEN1 (0.76) MEN1KMT2APOLBPKMAPEX1
SCHEMBL4100019 0.82 MEN1 (0.66) MEN1KMT2APKM
SCHEMBL14075283 0.82 MAPT (0.77) MEN1KMT2APKMAPEX1TP53
SCHEMBL7448446 0.82 MEN1 (0.72) MEN1KMT2ANPC1PKMAPEX1

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 4 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-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-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-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

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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MEN1 4601/4885KMT2A 1477/4885NPC1 777/4885

“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.