SCHEMBL457498

SCHEMBL457498

Cc1cccc(CCC(=O)c2c(O)cc(O)cc2O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 7/20 0.70
SLC5A2 P31639 7/20 0.70
GAA P10253 2/20 0.69
MAPT P10636 2/20 0.69
CYP19A1 P11511 3/20 0.63
TYR P14679 1/20 0.63
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 2/20 0.62
CYP3A4 P08684 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
SLC16A3 O15427 1/20 0.62
ALDH1A1 P00352 1/20 0.62
TTR P02766 1/20 0.62
ESR1 P03372 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62

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
SCHEMBL19668159 0.86 SLC5A1 (0.76) SLC5A1SLC5A2GAAMAPTCYP19A1
SCHEMBL30913242 0.86 SLC5A1 (0.76) SLC5A1SLC5A2GAAMAPTCYP19A1
SCHEMBL457501 0.83 SLC5A1 (1.00) SLC5A1SLC5A2GAAMAPTCYP19A1
SCHEMBL456323 0.82 SLC5A1 (0.72) SLC5A1SLC5A2GAAMAPTCYP19A1
SCHEMBL455029 0.82 SLC5A1 (1.00) SLC5A1SLC5A2GAAMAPTCYP19A1
SCHEMBL454742 0.82 SLC5A1 (0.69) SLC5A1SLC5A2GAAMAPTCYP19A1
SCHEMBL31450931 0.80 CYP19A1 (0.74) SLC5A1SLC5A2GAAMAPTCYP19A1
SCHEMBL22842579 0.80 DPP4 (0.53) GAALMNAMEN1KMT2AKDM4E
SCHEMBL18306242 0.79 SLC5A1 (0.55) SLC5A1SLC5A2GAAMAPTCYP19A1
SCHEMBL18306232 0.78 NFKB1 (0.59) SLC5A1SLC5A2GAAMAPTCYP19A1

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.