SCHEMBL6720202

SCHEMBL6720202

O=C1/C(=C/c2ccc(O)cc2O)SC(=S)N1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
NPSR1 Q6W5P4 2/20 0.65
SAE1 Q9UBE0 1/20 0.65
UBA2 Q9UBT2 1/20 0.65
AMY1A P0DUB6 1/20 0.64
NOX4 Q9NPH5 1/20 0.59
NOX1 Q9Y5S8 1/20 0.59
HSPD1 P10809 1/20 0.58
HSPE1 P61604 1/20 0.58
MAPT P10636 8/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.56
MCL1 Q07820 1/20 0.56
APOBEC3G Q9HC16 1/20 0.54
CFTR P13569 1/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 3/20 0.54
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54

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
SCHEMBL3695851 0.85 HSD17B3 (0.64) MEN1KMT2ANPSR1SAE1UBA2
SCHEMBL3695849 0.85 HSD17B3 (0.64) MEN1KMT2ANPSR1SAE1UBA2
SCHEMBL14501917 0.85 HSD17B3 (0.64) MEN1KMT2ANPSR1SAE1UBA2
SCHEMBL10035969 0.82 MEN1 (0.73) MEN1KMT2AHSPD1HSPE1MAPT
SCHEMBL2403957 0.79 HSPD1 (0.81) MEN1KMT2AHSPD1HSPE1MAPT
SCHEMBL2403963 0.79 HSPD1 (0.81) MEN1KMT2AHSPD1HSPE1MAPT
SCHEMBL2403960 0.79 HSPD1 (0.81) MEN1KMT2AHSPD1HSPE1MAPT
SCHEMBL10144740 0.77 MAPT (0.68) MEN1KMT2ANPSR1SAE1UBA2
SCHEMBL12123516 0.77 DUSP22 (0.77) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL9917038 0.77 DUSP22 (0.77) MEN1KMT2AMAPTTDP1MAPK1

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 1477/4885NPSR1 4433/4885

“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.