SCHEMBL6722070

SCHEMBL6722070

O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Cl)c2)N1c1ncc(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
UBE2I P63279 4/20 0.53
SAE1 Q9UBE0 4/20 0.53
UBA2 Q9UBT2 4/20 0.53
TP53 P04637 2/20 0.51
PTGES O14684 1/20 0.51
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6721977 0.91 POLB (0.51) POLBUBE2ISAE1UBA2TP53
SCHEMBL6722119 0.91 POLB (0.51) POLBUBE2ISAE1UBA2TP53
SCHEMBL6722180 0.91 POLB (0.51) POLBUBE2ISAE1UBA2TP53
SCHEMBL6721764 0.73 PTGES (0.58) POLBPTGESALDH1A1NPSR1MAPT
SCHEMBL6721747 0.72 PTGES (0.56) POLBPTGESALDH1A1NPSR1MAPT
SCHEMBL6721714 0.72 PTGES (0.56) POLBPTGESALDH1A1ALOX15TSHR
SCHEMBL6721838 0.70 PTGES (0.52) POLBPTGESALDH1A1NPSR1MAPT
SCHEMBL6721890 0.70 PTGES (0.52) POLBPTGESALDH1A1MAPTMEN1
SCHEMBL6721831 0.69 PTGES (0.59) POLBPTGESALDH1A1NPSR1MAPT
SCHEMBL6721785 0.69 PTGES (0.51) POLBPTGESALDH1A1NPSR1MAPT

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 2 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-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 POLB 26/4885UBE2I 2756/4885SAE1 1114/4885

“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.