SCHEMBL6720680

SCHEMBL6720680

CN1C(C(=O)O)=C(O)c2cc(Cc3ccccc3)cnc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
ABCB11 O95342 1/20 0.39
GLA P06280 1/20 0.39
EDNRA P25101 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6720681 0.87 BRS3 (0.37) PTGS1PTGS2KDM4EUSP2CYP1A2
SCHEMBL6720664 0.76 KDM4E (0.35) PTGS1PTGS2KDM4EUSP2CYP1A2
SCHEMBL6720530 0.75 PTGS1 (0.48) PTGS1PTGS2KDM4EUSP2CYP1A2
SCHEMBL6720678 0.74 HCAR2 (0.40) PTGS2PTPN1PTGESALDH1A1HPGD
SCHEMBL2351157 0.69 HSD11B1 (0.66) PTGS1PTGS2KDM4EUSP2CYP1A2
SCHEMBL16019088 0.63 PLA2G10 (0.42) LMNAPTPN1ALDH1A1HPGDHTT
SCHEMBL11630841 0.63 RNASEH1 (0.42) LMNAPTPN1ALDH1A1HPGDHTT
SCHEMBL11630337 0.62 PTPN1 (0.45) KDM4ECYP1A2LMNAPTPN1ALDH1A1
SCHEMBL13850877 0.61 HNF4A (0.54) KDM4ECYP3A4ALOX15BLMPTPN1
SCHEMBL924382 0.61 HNF4A (0.50) KDM4ELMNAPTPN1ALDH1A1HPGD

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 PTGS1 1768/4885PTGS2 3562/4885KDM4E 1795/4885

“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.