SCHEMBL384337

SCHEMBL384337

CS(=O)(=O)c1ccc(-c2ccc(O)cc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.58
ENPP2 Q13822 1/20 0.55
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
FYN P06241 1/20 0.50
MAP4K4 O95819 1/20 0.50
MINK1 Q8N4C8 1/20 0.50
TNIK Q9UKE5 1/20 0.50

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
SCHEMBL386705 0.90 ENPP2 (0.55) PTGS2ENPP2FYNMAP4K4MINK1
SCHEMBL387063 0.84 ENPP2 (0.61) PTGS2ENPP2FYNMAP4K4MINK1
SCHEMBL13448493 0.83 PTGS2 (0.72) PTGS2
SCHEMBL904012 0.80 PTGS2 (0.63) PTGS2
SCHEMBL28226426 0.80 ESR1 (0.70) ESR1ESR2
SCHEMBL38659424 0.80 ESR1 (0.70) ESR1ESR2
SCHEMBL903956 0.79 ENPP2 (0.53) PTGS2ENPP2ESR1ESR2
SCHEMBL3247764 0.79 PTGS2 (0.69) PTGS2ENPP2ESR1ESR2
SCHEMBL12012445 0.77 ESR1 (0.61) ESR1ESR2
SCHEMBL9842662 0.76 ESR1 (0.66) ESR1ESR2

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-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
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 1372/4885ENPP2 830/4885ESR1 3449/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC PTGS2 1372/4885ENPP2 830/4885ESR1 3449/4885

“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.