SCHEMBL6027291

SCHEMBL6027291

COc1cc(-c2ccc(C#N)cc2)ccc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.50
ALPL P05186 3/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
HSD11B1 P28845 3/20 0.41
SCN9A Q15858 1/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
MMP3 P08254 1/20 0.40
CTSA P10619 1/20 0.39

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
SCHEMBL32679284 0.81 ACLY (0.50) ACLYALPLALDH1A1
SCHEMBL6026961 0.80 CA12 (0.45) ACLYCA12CA1CA2CA9
SCHEMBL6451480 0.78 CA2 (0.50) CA12CA1CA2CA9HSD11B1
SCHEMBL6026956 0.77 KIF11 (0.51) ACLYCA12CA1CA2CA9
SCHEMBL7280551 0.77 ACLY (0.53) ACLYALPLCA12CA1CA2
SCHEMBL8407204 0.75 ACLY (0.55) ACLYALPLCA12CA1CA2
SCHEMBL16991664 0.75 CHEK1 (0.48) ACLYALDH1A1CYP2C9CYP2C19MMP3
SCHEMBL7282985 0.74 ALDH1A1 (0.71) ACLYKIF11ALDH1A1CYP2C9CYP2C19
SCHEMBL7629786 0.74 AR (0.56) ACLYALDH1A1CYP2C9CYP2C19
SCHEMBL6027181 0.73 AR (0.52) ACLYCA12CA1CA2CA9

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 ACLY 1252/4885ALPL 1694/4885CA12 1746/4885

“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.