SCHEMBL386624

SCHEMBL386624

CS(=O)(=O)c1ccc(-c2ncc(O)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.55
MAP4K4 O95819 4/20 0.50
MINK1 Q8N4C8 3/20 0.50
TNIK Q9UKE5 2/20 0.50
FYN P06241 1/20 0.50
MELK Q14680 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS2 P35354 7/20 0.45
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.42
PIK3CA P42336 1/20 0.41
KCNH2 Q12809 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL4453183 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL14167750 0.82 KDM4E (0.49) ENPP2MAP4K4MEN1KMT2APTGS2
SCHEMBL388829 0.79 ENPP2 (0.57) ENPP2MAP4K4MINK1TNIKFYN
SCHEMBL22807037 0.79 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL4457504 0.77 PTGS2 (0.44) PTGS2LMNAPTGS1
SCHEMBL28153627 0.77 PTGS2 (0.46) ENPP2PTGS2LMNAPTGS1
SCHEMBL388018 0.76 ENPP2 (0.86) ENPP2MAP4K4MINK1TNIKFYN
SCHEMBL3625738 0.75 MEN1 (0.77) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL12179360 0.75 MAP4K4 (0.57) ENPP2MAP4K4MINK1TNIKFYN
SCHEMBL903914 0.74 MAP4K4 (0.54) ENPP2MAP4K4MINK1TNIKFYN

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 ENPP2 830/4885MAP4K4 1252/4885MINK1 431/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ENPP2 830/4885MAP4K4 1252/4885MINK1 431/4885

“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.