SCHEMBL6720643

SCHEMBL6720643

O=C(O)C1=C(O)c2cc(Cc3ccc(F)cc3)cnc2S(=O)(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.39
GRM2 Q14416 6/20 0.34
PTGES O14684 2/20 0.33
PTGS2 P35354 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6720678 0.90 HCAR2 (0.40) BRS3PTGESPTGS2
SCHEMBL6720640 0.86 KDM5A (0.41) BRS3GRM2PTGESEGLN1
SCHEMBL6720645 0.84 BRS3 (0.40) BRS3PTGESPTGS2
SCHEMBL6720701 0.79 HTR2C (0.34) BRS3GRM2PTGESPTGS2P4HTM
SCHEMBL6720684 0.77 BRS3 (0.35) BRS3GRM2P4HTM
SCHEMBL6720612 0.71 PTGES (0.41) PTGESPTGS2MAPK1
SCHEMBL342864 0.66 KMT2A (0.46) BRS3P4HTMLMNAMAPK1CASP3
SCHEMBL757225 0.66 P4HTM (0.45) BRS3GRM2P4HTMLMNAMAPK1
SCHEMBL754198 0.64 P4HTM (0.63) P4HTMLMNAMAPK1CASP3SENP7
SCHEMBL6720680 0.64 PTGS1 (0.39) PTGESPTGS2LMNAMAPK1

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 BRS3 4275/4885GRM2 4727/4885PTGES 3330/4885

“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.