SCHEMBL30403496

SCHEMBL30403496

[2H]C([2H])([2H])C1(O)CCOc2cccc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
APP P05067 1/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
HTT P42858 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
KIF11 P52732 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
SCHEMBL30403900 0.89 MAP3K14 (0.35) MAP3K14ITGB2ICAM1ITGALAPP
SCHEMBL30403810 0.81 MAP3K14 (0.41) MAP3K14ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL30403909 0.77 ITGB2 (0.40) MAP3K14ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL17729338 0.72 BACE1 (0.36) MAP3K14ITGB2ICAM1ITGALAPP
SCHEMBL1350187 0.71 AKR1B1 (0.35) MAP3K14APPBACE1MAPTLMNA
SCHEMBL30403463 0.69 ITGB2 (0.43) MAP3K14ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL30402655 0.69 MAP3K14 (0.40) MAP3K14ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL30403679 0.66 MAP3K14 (0.37) MAP3K14ITGB2ICAM1ITGALALDH1A1
SCHEMBL13725421 0.62 ITGB2 (0.43) MAP3K14ITGB2ICAM1ITGALMAPT
SCHEMBL16661511 0.61 ITGB2 (0.37) MAP3K14ITGB2ICAM1ITGALMAPT

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-11634395-B2 Sulfonamide compound or salt thereof Taiho Pharmaceutial Co., Ltd. (JP) 2023-04-25 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-11634395-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 MAP3K14 3138/4885ITGB2 4839/4885ICAM1 4875/4885

“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.