SCHEMBL6027181

SCHEMBL6027181

COc1cc(-c2ccc(S(=O)(=O)O)cc2)ccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.52
PGR P06401 3/20 0.52
CHEK1 O14757 1/20 0.47
ACLY P53396 2/20 0.44
FABP7 O15540 1/20 0.44
FABP3 P05413 1/20 0.44
FABP5 Q01469 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SCN9A Q15858 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
IMPDH2 P12268 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL6027030 0.80 CYP11B1 (0.40) ARPGRCA12CA1CA2
SCHEMBL7629786 0.78 AR (0.56) ARPGRCHEK1ACLYFABP7
SCHEMBL27439715 0.76 AR (0.55) ARPGRCHEK1FABP7FABP3
SCHEMBL34471191 0.76 AR (0.55) ARPGRCHEK1ALDH1A1KDM4E
SCHEMBL34472219 0.76 AR (0.55) ARPGRCHEK1FABP7FABP3
SCHEMBL13211322 0.76 SMN1; SMN2 (0.54) ARPGRSLC22A12ALDH1A1KDM4E
SCHEMBL23599218 0.75 PTGS1 (0.49) ARPGRCA12CA1CA2
SCHEMBL1941096 0.75 AR (0.46) ARPGRSLC22A12ALDH1A1KDM4E
SCHEMBL21561261 0.74 PTGS2 (0.58) ERN1
SCHEMBL27696751 0.74 MCOLN3 (0.51) CA12CA1CA2CA9ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696915-A1 BENZENESULFONYLAMINO-PYRIDIN-2-YL DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11-BETA-HSD-1) FOR THE TREATMENT OF DIABETES AND OBESITY Pfizer, Inc. (US) 2006-09-06 EP disclosed
WO-2005060963-A1 BENZENESULFONYLAMINO-PYRIDIN-2-YL DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11-BETA-HSD-1) FOR THE TREATMENT OF DIABETES AND OBESITY PFIZER INC. (US) 2005-07-07 WO disclosed
US-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AGOURON PHARMACEUTICALS, INC. 2005-07-07 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-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B11, HSD11B2 AR 487/4885PGR 1202/4885CHEK1 3727/4885

“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.