SCHEMBL30403679

SCHEMBL30403679

[2H]c1cccc2c1OCCC2(C)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 4/20 0.37
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
LMNA P02545 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAP2K1 Q02750 1/20 0.31
KMT2A Q03164 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL30403463 0.87 ITGB2 (0.43) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL30403909 0.81 ITGB2 (0.40) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL7031384 0.77 ITGB2 (0.40) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL29295492 0.72 MAP3K14 (0.44) MAP3K14HTTGAAALDH1A1RARA
SCHEMBL23362642 0.71 MAP3K14 (0.43) MAP3K14LMNASMN1; SMN2HTTGAA
SCHEMBL20554069 0.71 MAP3K14 (0.43) MAP3K14
SCHEMBL24162776 0.71 ITGB2 (0.44) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL11444836 0.69 MAP3K14 (0.41) MAP3K14LMNASMN1; SMN2GAAALDH1A1
SCHEMBL2632863 0.68 ITGB2 (0.46) MAP3K14ITGB2ICAM1ITGALLMNA
SCHEMBL19852058 0.68 AKR1B1 (0.37) ITGB2ICAM1ITGALAKR1B1

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.