SCHEMBL6720212

SCHEMBL6720212

COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OC(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 0.72
▸ TCF4 P15884 1/20 0.72
▸ KLKB1 P03952 1/20 0.70
▸ KMT2A Q03164 10/20 0.66
▸ APAF1 O14727 2/20 0.66
▸ ADAMTS5 Q9UNA0 1/20 0.66
▸ MEN1 O00255 9/20 0.65
▸ POLB P06746 3/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ GFER P55789 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ NCOA3 Q9Y6Q9 1/20 0.63
▸ PTPN12 Q05209 2/20 0.63
▸ PTPN22 Q9Y2R2 2/20 0.63
▸ PTPN7 P35236 1/20 0.63
▸ CACNA1B Q00975 1/20 0.63
▸ APBA1 Q02410 1/20 0.63
▸ FABP4 P15090 1/20 0.61

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
SCHEMBL12006921 0.90 CTNNB1 (0.88) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL12008743 0.85 KMT2A (0.89) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL12008742 0.85 FABP4 (0.80) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL12008446 0.85 CTNNB1 (0.77) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL25385999 0.84 CTNNB1 (1.00) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL12008489 0.84 FABP4 (0.81) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL12006900 0.84 CTNNB1 (1.00) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL29382147 0.84 CTNNB1 (1.00) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL29373121 0.84 CTNNB1 (1.00) CTNNB1TCF4KLKB1KMT2AAPAF1
SCHEMBL12008813 0.84 KMT2A (0.89) CTNNB1TCF4KLKB1KMT2AAPAF1

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 CTNNB1 862/4885TCF4 810/4885KLKB1 1272/4885

“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.

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