SCHEMBL4247952

SCHEMBL4247952

Cc1ccc(C(=O)O)c(C)c1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.43
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
MCL1 Q07820 1/20 0.39
HAAO P46952 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL3232942 0.85 ALDH1A1 (0.39) GLO1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1495431 0.83 ALDH1A1 (0.41) GLO1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL29289145 0.82 GLO1 (0.41) GLO1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11024382 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL27514498 0.80 GLO1 (0.42) GLO1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2929807 0.78 CA2 (0.41) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL10867140 0.76 ALDH1A1 (0.40) GLO1ALDH1A1CA12CA1CA2
SCHEMBL4254001 0.74 ALDH1A1 (0.39) GLO1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL242262 0.73 CYP1A2 (0.48) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL29370019 0.73 CYP1A2 (0.48) ALDH1A1HSD17B10KDM4EHPGDMEN1

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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 GLO1 3256/4885ALDH1A1 204/4885HSD17B10 2536/4885

“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.