SCHEMBL31702333

SCHEMBL31702333

CC(C)(C)[S@](=N)(=O)c1cccc(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
ENPP2 Q13822 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ADAMTS4 O75173 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KIF18A Q8NI77 2/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL31701681 1.00 IKBKB (0.46) IKBKBENPP2PTGES2PRSS1PRSS2
SCHEMBL31700847 1.00 IKBKB (0.46) IKBKBENPP2PTGES2PRSS1PRSS2
SCHEMBL23665698 0.81 ENPP2 (0.44) IKBKBENPP2PTGES2PRSS1PRSS2
SCHEMBL31701736 0.81 ENPP2 (0.44) IKBKBENPP2PTGES2PRSS1PRSS2
SCHEMBL646928 0.77 ALDH1A1 (0.50) IKBKBENPP2PTGES2PRSS1PRSS2
SCHEMBL2854642 0.75 MAPT (0.63) IKBKBPTGES2PDK1PDK2PDK3
SCHEMBL31192532 0.75 PSIP1 (0.52) IKBKBENPP2PTGES2PRSS1PRSS2
SCHEMBL19277486 0.75 PSIP1 (0.52) IKBKBENPP2PTGES2PRSS1PRSS2
SCHEMBL10586812 0.74 TSHR (0.53) IKBKBENPP2PTGES2PRSS1PRSS2
SCHEMBL1134311 0.73 ENPP2 (0.52) IKBKBENPP2PTGES2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2025-10-16 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-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A IKBKB 2672/4885ENPP2 16/4885PTGES2 1419/4885

“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.