SCHEMBL31046019

SCHEMBL31046019

O=C(O)C1(c2ccc(C(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.50
APP P05067 5/20 0.43
AKR1C3 P42330 5/20 0.43
AKR1C2 P52895 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 3/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
TET3 O43151 2/20 0.39

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
SCHEMBL13195386 0.82 AKR1C1 (0.52) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL14441150 0.81 AKR1C1 (0.50) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL31759345 0.79 ADRA1D (0.40)
SCHEMBL348690 0.79 AKR1C1 (0.45) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL4503594 0.79 APP (0.45) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL301150 0.78 APP (0.61) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL31759497 0.77 AKR1C1 (0.46) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL348779 0.77 KMT2A (0.48) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL350266 0.75 APP (0.58) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL28317646 0.75 AKR1C3 (0.55) AKR1C1APPAKR1C3AKR1C2CYP2C19

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
EP-4680336-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2026-01-21 EP disclosed
US-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 US disclosed
WO-2024196788-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-09-26 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-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 AKR1C1 834/4885APP 163/4885AKR1C3 314/4885

“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.