SCHEMBL6722119

SCHEMBL6722119

O=C1c2oc3cc(O)ccc3c(=O)c2C(c2cccc(Cl)c2)N1c1ncc(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
PTGES O14684 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 5/20 0.45
UBE2I P63279 4/20 0.45
SAE1 Q9UBE0 4/20 0.45
UBA2 Q9UBT2 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL6722070 0.91 POLB (0.62) POLBPTGESALDH1A1MAPK1ALOX15
SCHEMBL6722180 0.91 POLB (0.51) POLBPTGESALDH1A1MAPK1ALOX15
SCHEMBL6721977 0.91 POLB (0.51) POLBPTGESALDH1A1MAPK1ALOX15
SCHEMBL6721764 0.77 PTGES (0.58) POLBPTGESALDH1A1MAPTMEN1
SCHEMBL6721838 0.75 PTGES (0.52) POLBPTGESALDH1A1MAPTMEN1
SCHEMBL6721831 0.73 PTGES (0.59) POLBPTGESALDH1A1MAPTMEN1
SCHEMBL6721747 0.72 PTGES (0.56) POLBPTGESALDH1A1MAPTMEN1
SCHEMBL6721714 0.72 PTGES (0.56) POLBPTGESALDH1A1ALOX15TSHR
SCHEMBL6721890 0.71 PTGES (0.52) POLBPTGESALDH1A1MAPTMEN1
SCHEMBL6721844 0.70 PTGES (0.56) POLBPTGESALDH1A1MAPTMEN1

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 26/4885PTGES 3330/4885ALDH1A1 265/4885

“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.