SCHEMBL386705

SCHEMBL386705

CS(=O)(=O)c1ccc(-c2ccc(O)cc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.55
PTGS2 P35354 15/20 0.54
MAP4K4 O95819 2/20 0.51
MINK1 Q8N4C8 2/20 0.51
TNIK Q9UKE5 2/20 0.51
FYN P06241 1/20 0.50
APP P05067 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL384337 0.90 PTGS2 (0.58) ENPP2PTGS2MAP4K4MINK1TNIK
SCHEMBL28022695 0.83 PTGS2 (0.59) PTGS2
SCHEMBL13448493 0.79 PTGS2 (0.72) PTGS2
SCHEMBL8548523 0.78 PTGS2 (0.65) PTGS2CYP3A4CYP2C9CYP2C19
SCHEMBL387063 0.77 ENPP2 (0.61) ENPP2PTGS2MAP4K4MINK1TNIK
SCHEMBL386738 0.77 PTGS2 (0.50) ENPP2PTGS2MAP4K4MINK1TNIK
SCHEMBL904012 0.77 PTGS2 (0.63) PTGS2
SCHEMBL19155134 0.76 BRD4 (0.47) PTGS2
SCHEMBL28226426 0.76 ESR1 (0.70) APPCYP3A4CYP2C9CYP2C19
SCHEMBL38659424 0.76 ESR1 (0.70) APPCYP3A4CYP2C9CYP2C19

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-102432598-A Tricyclic compound, preparation method thereof and pharmaceutical application thereof JIANGSU HENGRUI MEDICINE CO 2012-05-02 CN disclosed
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO 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
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 830/4885PTGS2 1372/4885MAP4K4 1252/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ENPP2 830/4885PTGS2 1372/4885MAP4K4 1252/4885

“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.