SCHEMBL5656855

SCHEMBL5656855

CC1(C)COc2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.45
RARG P13631 4/20 0.45
RARA P10276 3/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
NOTUM Q6P988 2/20 0.44
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACACB O00763 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34

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
SCHEMBL5657117 0.85 NOTUM (0.45) RARBRARGRARAPTGS1PTGS2
SCHEMBL5656647 0.84 NOTUM (0.44) RARBRARGRARAPTGS1PTGS2
SCHEMBL5654523 0.81 NOTUM (0.42) RARBRARGRARAPTGS1PTGS2
SCHEMBL9617566 0.80 GAA (0.47) RARBRARGRARAPTGS1PTGS2
SCHEMBL9617620 0.79 PTGS1 (0.41) RARBRARGRARAPTGS1PTGS2
SCHEMBL987763 0.76 RARB (0.41) RARBRARGRARAPTGS1PTGS2
SCHEMBL23554960 0.76 PKM (0.55) CA1CA2CA12ALDH1A1PKM
SCHEMBL987764 0.75 PTGS1 (0.43) RARBRARGRARAPTGS1PTGS2
SCHEMBL8982307 0.74 NOTUM (0.49) RARBRARGRARAPTGS1PTGS2
SCHEMBL3542625 0.72 RARB (0.71) RARBRARGRARAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
EP-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP disclosed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP disclosed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US disclosed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO disclosed
CN-1312680-A Herbicidal compositions containing acylated aminophenylsulfonylureas AVENTIES CROP SCIENCES GMBH (DE) 2001-09-12 CN 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-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases PC, CYP27A1, GPR119 RARB 3268/4885RARG 1834/4885RARA 2812/4885

“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.