SCHEMBL457058

SCHEMBL457058

Cc1c(O)cc(O)cc1OC(=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 2/20 0.52
▸ SLC5A2 P31639 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ AKR1C3 P42330 10/20 0.47
▸ ALOX5 P09917 2/20 0.46
▸ APP P05067 1/20 0.46
▸ AKR1C4 P17516 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ CBS P35520 1/20 0.45
▸ AKR1C2 P52895 1/20 0.43

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
SCHEMBL29011740 0.81 SLC5A1 (0.59) SLC5A1SLC5A2GAAMAPTKMT2A
SCHEMBL28994753 0.77 TDP1 (0.62) SLC5A1SLC5A2GAAMAPTKMT2A
SCHEMBL563313 0.76 GAA (0.45) SLC5A1SLC5A2GAAMAPTKMT2A
SCHEMBL28062064 0.76 TDP1 (0.56) MAPTKMT2ATDP1AKR1C3
SCHEMBL455030 0.76 KMT2A (0.59) SLC5A1SLC5A2GAAMAPTKMT2A
SCHEMBL20323322 0.75 ESR1 (0.56) GAAMAPTKMT2ATDP1
SCHEMBL28283295 0.73 AKR1C3 (0.64) MAPTKMT2ATDP1AKR1C3ALOX5
SCHEMBL31321650 0.72 AKR1C3 (0.66) KMT2AAKR1C3ALOX5
SCHEMBL1938569 0.72 SLC5A1 (0.73) SLC5A1SLC5A2GAAMAPTKMT2A
SCHEMBL13978646 0.72 KMT2A (0.66) MAPTKMT2ATDP1AKR1C3APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800725-B2 Arylpropionyl-triketone antibacterial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-13 — — US disclosed
US-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-31 — — US disclosed
WO-2012033846-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-03-15 — — WO 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 (2 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-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS POLR2H, POLR2A, POLR2E SLC5A1 2423/4885SLC5A2 3409/4885GAA 1233/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E SLC5A1 2423/4885SLC5A2 3409/4885GAA 1233/4885

“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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