SCHEMBL31508347

SCHEMBL31508347

CC(=O)Nc1ccc(C=Cc2ccc(N3C(=O)C=CC3=O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.67
HSP90AA1 P07900 2/20 0.53
TLR9 Q9NR96 1/20 0.53
RAD51 Q06609 3/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
G6PD P11413 1/20 0.43
PKM P14618 1/20 0.43
CCR6 P51684 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATAD2 Q6PL18 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
APEX1 P27695 1/20 0.41
POLB P06746 1/20 0.40
SCN2A Q99250 1/20 0.38

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
SCHEMBL175578 1.00 ENPP2 (0.67) ENPP2HSP90AA1TLR9RAD51ALDH1A1
SCHEMBL175579 1.00 ENPP2 (0.67) ENPP2HSP90AA1TLR9RAD51ALDH1A1
SCHEMBL29950285 0.89 RAD51 (0.58) ENPP2HSP90AA1TLR9RAD51ALDH1A1
SCHEMBL9321055 0.85 ENPP2 (0.91) ENPP2RAD51ALDH1A1MEN1MAPT
SCHEMBL14358432 0.85 ENPP2 (0.91) ENPP2RAD51ALDH1A1MEN1MAPT
SCHEMBL7712332 0.83 ENPP2 (0.46) ENPP2HSP90AA1TLR9ALDH1A1MEN1
SCHEMBL7712325 0.83 ENPP2 (0.46) ENPP2HSP90AA1TLR9ALDH1A1MEN1
SCHEMBL14620709 0.80 ENPP2 (0.78) ENPP2RAD51ALDH1A1MEN1MAPT
SCHEMBL11421159 0.80 ENPP2 (0.78) ENPP2RAD51ALDH1A1MEN1MAPT
SCHEMBL29673349 0.79 HSP90AA1 (0.43) ENPP2HSP90AA1ALDH1A1PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096874-A1 COMPOUNDS AND METHODS FOR USING GALLOYLATED POLYPHENOLS TO TREAT DISEASES MEDIATED BY THIOL ISOMERASES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2025-05-08 WO disclosed
US-20250134853-A1 COMPOUNDS AND METHODS FOR USING GALLOYLATED POLYPHENOLS TO TREAT DISEASES MEDIATED BY THIOL ISOMERASES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2025-05-01 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-20250134853-A1 COMPOUNDS AND METHODS FOR USING GALLOYLATED POLYPHENOLS TO TREAT DISEASES MEDIATED BY THIOL ISOMERASES GGT1, SPR, PON1 ENPP2 1452/4885HSP90AA1 222/4885TLR9 4585/4885

“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.