SCHEMBL5657117

SCHEMBL5657117

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
RARB P10826 3/20 0.43
RARG P13631 3/20 0.43
RARA P10276 2/20 0.43
PTGS2 P35354 6/20 0.42
PTGS1 P23219 2/20 0.42
DAO P14920 1/20 0.41
AKR1B1 P15121 1/20 0.41
KDM1A O60341 1/20 0.40
RXRA P19793 1/20 0.40
G6PD P11413 1/20 0.38
IDE P14735 1/20 0.38
PNMT P11086 1/20 0.37

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
SCHEMBL5656855 0.85 RARB (0.45) NOTUMRARBRARGRARAPTGS2
SCHEMBL5656647 0.85 NOTUM (0.44) NOTUMRARBRARGRARAPTGS2
SCHEMBL5654523 0.83 NOTUM (0.42) NOTUMRARBRARGRARAPTGS2
SCHEMBL9617566 0.81 GAA (0.47) NOTUMRARBRARGRARAPTGS2
SCHEMBL9617620 0.80 PTGS1 (0.41) NOTUMRARBRARGRARAPTGS2
SCHEMBL23554960 0.77 PKM (0.55)
SCHEMBL11450799 0.76 CA2 (0.45) NOTUMRARBRARGRARAPTGS2
SCHEMBL16178941 0.73 AKR1B1 (0.45) NOTUMRARBRARGRARAPTGS2
SCHEMBL11449845 0.73 ALDH1A1 (0.46)
SCHEMBL720137 0.73 NOTUM (0.50) NOTUMRARBRARGRARAPTGS2

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 5 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

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 NOTUM 1917/4885RARB 3268/4885RARG 1834/4885

“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.