SCHEMBL31759481

SCHEMBL31759481

O=C(O)C1(c2cnc(Cl)cc2O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
MAP4K4 O95819 2/20 0.33
AKR1C1 Q04828 2/20 0.33
APP P05067 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL29047817 0.82 RXRA (0.36) NAPRTAKR1C3AKR1C2MAP4K4AKR1C1
SCHEMBL31759347 0.72 CA1 (0.43) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL30239786 0.70 SIRT6 (0.40) NAPRTAKR1C3AKR1C2MAP4K4AKR1C1
SCHEMBL31759402 0.70 SPR (0.42) AKR1C3AKR1C2MAP4K4AKR1C1APP
SCHEMBL349552 0.69 NAPRT (0.47) NAPRTAKR1C3AKR1C2MAP4K4AKR1C1
SCHEMBL31247665 0.69 NAPRT (0.47) NAPRTAKR1C3AKR1C2MAP4K4AKR1C1
SCHEMBL15204492 0.69 AKR1C3 (0.38) AKR1C3AKR1C2MAP4K4AKR1C1APP
SCHEMBL20819544 0.68 CYP26A1 (0.38) AKR1C3AKR1C2AKR1C1CYP3A4RARA
SCHEMBL31759499 0.68 AKR1C1 (0.34) NAPRTAKR1C3AKR1C2AKR1C1APP
SCHEMBL31447288 0.68 HCAR2 (0.31) AKR1C3AKR1C2MAP4K4AKR1C1SPR

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-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 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-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 NAPRT 3481/4885AKR1C3 314/4885AKR1C2 761/4885

“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.