SCHEMBL6720649

SCHEMBL6720649

COc1ccc(Cc2cnc3c(c2)C(O)=C(C(=O)O)N(C)S3(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BRS3 P32247 1/20 0.37
ALKBH1 Q13686 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
RIOX2 Q8IUF8 1/20 0.35
KDM8 Q8N371 1/20 0.35
LTA4H P09960 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 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
SCHEMBL6720680 0.88 PTGS1 (0.39) KDM4E
SCHEMBL6720664 0.83 KDM4E (0.35) ALKBH1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL6720681 0.78 BRS3 (0.37) BRS3ALKBH1KDM4E
SCHEMBL6720534 0.71 CYP1A2 (0.51) KDM4EMAPTSMN1; SMN2
SCHEMBL6720530 0.68 PTGS1 (0.48) MEN1KMT2AKDM4EPOLB
SCHEMBL11630361 0.66 P4HTM (0.55) MEN1KMT2AKDM5AKDM5BSAE1
SCHEMBL6720697 0.66 SMN1; SMN2 (0.33) BRS3ALKBH1SMN1; SMN2
SCHEMBL20885877 0.65 MAP4K4 (0.52) MEN1KMT2ABRS3KDM4ELTA4H
SCHEMBL6720678 0.63 HCAR2 (0.40) BRS3KDM5AKDM5BNPC1
SCHEMBL6720643 0.63 BRS3 (0.39) EGLN1BRS3

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 EGLN1 1480/4885MEN1 4601/4885KMT2A 1477/4885

“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.