SCHEMBL388550

SCHEMBL388550

CS(=O)(=O)c1ccc(-c2ccc(O)c(F)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KCNH2 Q12809 2/20 0.42
KIF11 P52732 1/20 0.41
SCD O00767 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
VRK2 Q86Y07 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 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
SCHEMBL386673 0.80 KIF11 (0.61) PTGS2KIF11ESR1ESR2
SCHEMBL903972 0.79 ENPP2 (0.57) PTGS2KCNH2SCD
SCHEMBL3889349 0.77 PTGS2 (0.49) PTGS2KCNH2SCDPTGDR2
SCHEMBL12988126 0.77 CYP11B1 (0.52) CYP11B1CYP11B2ESR1ESR2
SCHEMBL355740 0.76 ENPP2 (0.50) PTGS2KIF11
SCHEMBL12987472 0.74 CYP11B1 (0.50) CYP11B1CYP11B2ESR1ESR2
SCHEMBL387208 0.74 RORC (0.46) PTGS2
SCHEMBL19187290 0.73 PTGS2 (0.55) PTGS2
SCHEMBL388829 0.72 ENPP2 (0.57) PTGS2KCNH2
SCHEMBL6240103 0.72 PTGS2 (0.54) PTGS2KCNH2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101657471-B Bicyclic compounds and their use as antidiabetics SMITHKLINE BEECHAM CORP 2013-07-03 CN disclosed
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
CN-101657471-A Bicyclic compounds and their use as antidiabetics SMITHKLINE BEECHAM CORP US 2010-02-24 CN disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (2 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC PTGS2 1372/4885CYP11B1 37/4885CYP11B2 17/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC PTGS2 1372/4885CYP11B1 37/4885CYP11B2 17/4885

“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.