SCHEMBL1094429

SCHEMBL1094429

O=C(O)CCc1ccc(N=C=S)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.66
HSD17B10 Q99714 1/20 0.54
FFAR1 O14842 13/20 0.53
KEAP1 Q14145 1/20 0.52
FFAR4 Q5NUL3 3/20 0.50
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MIF P14174 1/20 0.45

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
SCHEMBL3397221 0.90 P2RY6 (0.61) P2RY6HSD17B10FFAR1LMNAMIF
SCHEMBL7603799 0.84 P2RY6 (0.63) P2RY6HSD17B10FFAR1CA1CA2
SCHEMBL7686608 0.84 P2RY6 (0.63) P2RY6HSD17B10KEAP1LMNACA1
SCHEMBL1457228 0.81 P2RY6 (0.59) P2RY6HSD17B10FFAR1LMNACA1
SCHEMBL9547715 0.80 P2RY6 (1.00) P2RY6HSD17B10CA1CA2MIF
SCHEMBL1853024 0.80 P2RY6 (1.00) P2RY6HSD17B10CA1CA2MIF
SCHEMBL3763772 0.80 P2RY6 (0.58) P2RY6HSD17B10LMNA
SCHEMBL69746 0.78 FFAR1 (0.81) FFAR1KEAP1FFAR4LMNAL3MBTL1
SCHEMBL8503279 0.77 P2RY6 (0.76) P2RY6HSD17B10CA1CA2MIF
SCHEMBL18902133 0.77 FFAR1 (0.61) FFAR1KEAP1FFAR4LMNAL3MBTL1

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-8153781-B2 Dendrimer conjugates of agonists and antagonists of the GPCR superfamily THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-10 US disclosed
EP-2170401-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2010-04-07 EP disclosed
US-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-01-08 US disclosed
WO-2009006046-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 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 (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-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY ADORA1, ADORA2A, ADORA3 P2RY6 119/4885HSD17B10 4279/4885FFAR1 55/4885

“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.