SCHEMBL6720701

SCHEMBL6720701

O=C(O)C1=C(O)c2cc(Cc3ccc(F)cc3)ncc2S(=O)(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.34
BRS3 P32247 1/20 0.34
PTGES O14684 6/20 0.32
PTGS2 P35354 2/20 0.32
P4HTM Q9NXG6 1/20 0.32
GRM2 Q14416 2/20 0.32
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
SLC40A1 Q9NP59 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL6720643 0.79 BRS3 (0.39) BRS3PTGESPTGS2P4HTMGRM2
SCHEMBL6720684 0.70 BRS3 (0.35) BRS3P4HTMGRM2
SCHEMBL6720645 0.65 BRS3 (0.40) HTR2CBRS3PTGESPTGS2
SCHEMBL6720640 0.65 KDM5A (0.41) BRS3PTGESGRM2
SCHEMBL6720568 0.64 PTGES (0.62) PTGESPTGS2CA12CA2CA7
SCHEMBL6720547 0.62 KDM4E (0.42) PTGESPTGS2CA12CA2CA7
SCHEMBL6720672 0.62 PTGES (0.57) PTGESPTGS2CA12CA2CA7
SCHEMBL6720354 0.62 NQO1 (0.43) CA12CA9
SCHEMBL6720618 0.60 SLC40A1 (0.46) PTGESPTGS2SLC40A1
SCHEMBL757225 0.59 P4HTM (0.45) BRS3P4HTMGRM2

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 HTR2C 3352/4885BRS3 4275/4885PTGES 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.