SCHEMBL6720697

SCHEMBL6720697

CN1C(C(=O)O)=C(O)c2c(ncc(Cc3ccc(F)cc3)c2N)S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ADCY10 Q96PN6 1/20 0.32
GRM2 Q14416 2/20 0.32
KCNH2 Q12809 1/20 0.32
FYN P06241 1/20 0.31
GRK5 P34947 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALKBH1 Q13686 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
BRS3 P32247 1/20 0.30

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
SCHEMBL6720684 0.77 BRS3 (0.35) GRM2FYNGRK5P4HTMBRS3
SCHEMBL6720681 0.69 BRS3 (0.37) ALKBH1BRS3
SCHEMBL6720680 0.68 PTGS1 (0.39)
SCHEMBL6720769 0.62 HTT (0.31)
SCHEMBL6720664 0.59 KDM4E (0.35) SMN1; SMN2ALKBH1
SCHEMBL16479900 0.59 DHFR (0.49)
SCHEMBL342457 0.59 MAPT (0.44) SMN1; SMN2
SCHEMBL6720643 0.58 BRS3 (0.39) GRM2P4HTMBRS3
SCHEMBL21081285 0.58 KDM4E (0.46) SMN1; SMN2GRM2P4HTM
SCHEMBL757225 0.57 P4HTM (0.45) GRM2ALKBH1P4HTMBRS3

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 SMN1; SMN2 3619/4885ADCY10 3778/4885GRM2 4727/4885

“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.