SCHEMBL6313348

SCHEMBL6313348

COc1cc(OC)nc(NC(=O)NS(=O)(=O)C2(C)C=CC=CC2C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CDK1 P06493 1/20 0.38
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.31
LMNA P02545 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
SCHEMBL3633894 0.91 GAA (0.41) GAACYP1A2MAPTTP53GLA
SCHEMBL8712354 0.88 GAA (0.39) GAA
SCHEMBL6440647 0.88 GAA (0.39) GAA
SCHEMBL4047513 0.86 GAA (0.43) GAACYP1A2MAPTKMT2AALDH1A1
SCHEMBL11073812 0.85 GAA (0.38) GAA
SCHEMBL10506669 0.85 GAA (0.35) GAAMAPTTP53GLAALDH1A1
SCHEMBL3304539 0.85 GAA (0.33) GAAALOX15
SCHEMBL11072808 0.84 GAA (0.31) GAAALOX15
SCHEMBL8167976 0.82 GAA (0.43) GAACYP1A2MAPTTP53GLA
SCHEMBL11072278 0.82 GAA (0.31) GAA

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
US-6838416-B2 Herbicidal 5-benzyloxymethyl-1,2-isoxazoline derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-01-04 US disclosed
US-20040023808-A1 Herbicidal 5-benzyloxymethyl-1,2-isoxazoline derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-02-05 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-20040023808-A1 Herbicidal 5-benzyloxymethyl-1,2-isoxazoline derivatives CYP4X1, PRDX5, AOX1 GAA 1890/4885CYP1A2 23/4885MAPT 4379/4885

“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.