SCHEMBL6720211

SCHEMBL6720211

COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.71
▸ KMT2A Q03164 6/20 0.71
▸ GFER P55789 2/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ AKR1B1 P15121 3/20 0.66
▸ PTPN1 P18031 1/20 0.65
▸ POLB P06746 2/20 0.62
▸ PDE4B Q07343 1/20 0.62
▸ CASP6 P55212 1/20 0.61
▸ CTNNB1 P35222 2/20 0.60
▸ TCF4 P15884 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RECQL P46063 1/20 0.60

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
SCHEMBL10492241 0.87 AKR1B1 (0.85) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL10492234 0.87 AKR1B1 (0.85) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL29408619 0.86 MEN1 (0.72) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL19736093 0.86 MEN1 (0.72) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL19736167 0.84 MEN1 (0.68) MEN1KMT2AAKR1B1PTPN1POLB
SCHEMBL29408637 0.84 MEN1 (0.68) MEN1KMT2AAKR1B1PTPN1POLB
SCHEMBL6720212 0.83 CTNNB1 (0.72) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL18102986 0.82 AKR1B1 (0.87) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL18102842 0.82 AKR1B1 (0.87) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL5218108 0.81 ADAMTS5 (0.84) —

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 1477/4885GFER 3067/4885

“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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