SCHEMBL6720199

SCHEMBL6720199

O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2c(c1)OCO2

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.85
KMT2A Q03164 9/20 0.85
CTDSP1 Q9GZU7 4/20 0.85
BLM P54132 3/20 0.85
POLB P06746 2/20 0.85
MAPT P10636 2/20 0.82
PTPN7 P35236 3/20 0.76
PTPN12 Q05209 3/20 0.76
GPR35 Q9HC97 3/20 0.76
PTPN22 Q9Y2R2 3/20 0.76
PSMD14 O00487 2/20 0.76
MMP2 P08253 1/20 0.76
GPR55 Q9Y2T6 1/20 0.76
DDX3X O00571 3/20 0.73
MAPK1 P28482 1/20 0.68
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 1/20 0.58
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57

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
SCHEMBL17319538 0.92 MAPT (0.73) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL12008593 0.92 KMT2A (1.00) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL12008765 0.91 PTPN12 (0.91) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL12008591 0.91 PTPN12 (0.80) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL17319559 0.90 KMT2A (0.72) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL12008590 0.90 KMT2A (1.00) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL12008979 0.88 MEN1 (0.71) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL6886476 0.87 MAPK1 (0.75) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL6886480 0.87 MAPK1 (0.75) MEN1KMT2ACTDSP1BLMPOLB
SCHEMBL12008619 0.87 PTPN7 (1.00) MEN1KMT2ACTDSP1BLMPOLB

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 MEN1 4601/4885KMT2A 1477/4885CTDSP1 111/4885

“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.