SCHEMBL386673

SCHEMBL386673

CS(=O)(=O)c1ccc(-c2ccc(O)c(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.61
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGS2 P35354 12/20 0.53
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
ENPP2 Q13822 1/20 0.48
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
PTGS1 P23219 1/20 0.47
MGLL Q99685 1/20 0.46

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
SCHEMBL355740 0.85 ENPP2 (0.50) KIF11LMNAPTGS2ENPP2
SCHEMBL903934 0.84 KIF11 (0.58) KIF11PTGS2ENPP2PTGS1
SCHEMBL5715742 0.83 APP (0.56) KIF11PTGS2ENPP2
SCHEMBL10068013 0.80 HSD17B1 (0.53) KIF11PTGS2HSD17B1HSD17B2ENPP2
SCHEMBL388550 0.80 PTGS2 (0.50) KIF11PTGS2ESR1ESR2
SCHEMBL904012 0.79 PTGS2 (0.63) PTGS2
SCHEMBL904087 0.79 ESR2 (0.56) PTGS2HSD17B1HSD17B2ENPP2ESR1
SCHEMBL722526 0.78 KIF11 (0.56) KIF11LMNAPTGS2
SCHEMBL857363 0.78 ESR1 (0.68) KDM4ELMNAHSD17B10HSD17B1HSD17B2
SCHEMBL30635318 0.78 ESR1 (0.68) KDM4ELMNAHSD17B10HSD17B1HSD17B2

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 KIF11 4337/4885KDM4E 4189/4885LMNA 2390/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC KIF11 4337/4885KDM4E 4189/4885LMNA 2390/4885

“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.