SCHEMBL6720640

SCHEMBL6720640

COc1ccc(Cc2cnc3c(c2)C(O)=C(C(=O)O)NS3(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
BRS3 P32247 2/20 0.41
PTGES O14684 2/20 0.38
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
LTA4H P09960 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ASPH Q12797 1/20 0.36
RIOX2 Q8IUF8 1/20 0.36
KDM8 Q8N371 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN5 P54829 1/20 0.35
PDE3B Q13370 1/20 0.35

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 0.87 HCAR2 (0.40) KDM5AKDM5BBRS3PTGESNPC1
SCHEMBL6720643 0.86 BRS3 (0.39) BRS3PTGESEGLN1GRM2
SCHEMBL6720612 0.83 PTGES (0.41) PTGESKDM4EPOLBSMN1; SMN2MAP4K4
SCHEMBL6720649 0.78 EGLN1 (0.37) KDM5AKDM5BBRS3KLKB1KLK1
SCHEMBL6720672 0.70 PTGES (0.57) PTGESKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL11630361 0.67 P4HTM (0.55) KDM5AKDM5BSAE1UBA2LTA4H
SCHEMBL6720618 0.66 SLC40A1 (0.46) PTGESKDM4EALDH1A1MAPT
SCHEMBL20885877 0.66 MAP4K4 (0.52) BRS3LTA4HKDM4ENPC1POLB
SCHEMBL25300653 0.65 BRS3 (0.57) KDM5AKDM5BBRS3SAE1UBA2
SCHEMBL6720680 0.65 PTGS1 (0.39) PTGESKDM4EALDH1A1HPGD

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 KDM5A 2372/4885KDM5B 2337/4885BRS3 4275/4885

“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.