SCHEMBL14040429

SCHEMBL14040429

O=C1c2ccccc2C(=O)N1[C@H]1C=CCN(S(=O)O)C[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CHRM2 P08172 1/20 0.31
OPRM1 P35372 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
IKZF3 Q9UKT9 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11040609 0.75 ALDH1A1 (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL11040612 0.75 ALDH1A1 (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL8884914 0.73 ALDH1A1 (0.40) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL5983334 0.70 PKM (0.35) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL14015886 0.66 TP53 (0.34) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL14015875 0.65 L3MBTL1 (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL7537535 0.63 ALDH1A1 (0.43) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL19533902 0.63 ALDH1A1 (0.43) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL11043276 0.60 CA9 (0.40) ALDH1A1CHRM2TSHRRAB9AHSD17B10
SCHEMBL11043274 0.60 CA9 (0.40) ALDH1A1CHRM2TSHRRAB9AHSD17B10

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-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 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-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide ACMSD, CPS1, BCAT2 ALDH1A1 104/4885CHRM2 2718/4885OPRM1 1052/4885

“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.