SCHEMBL2575323

SCHEMBL2575323

CS(=O)(=O)c1ccc(C(O)c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.48
PTGS2 P35354 2/20 0.44
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
LIPE Q05469 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
BRD4 O60885 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL477534 0.83 DRD2 (0.55) DRD2DRD1LIPEMAPTTDP1
SCHEMBL2577406 0.82 LIPE (0.46) DRD2DRD1LIPEMAPTTDP1
SCHEMBL2578523 0.82 SGMS2 (0.54) DRD2DRD1LIPEMAPTTDP1
SCHEMBL1539311 0.81 LIPE (0.45) DRD2DRD1LIPEMAPTTDP1
SCHEMBL31041187 0.81 SLC6A9 (0.47) PTGER1DRD2DRD1LIPEMAPT
SCHEMBL2577640 0.80 SGMS2 (0.54) DRD2DRD1LIPEMAPTTDP1
SCHEMBL2575133 0.80 DRD2 (0.46) DRD2DRD1LIPEMAPTTDP1
SCHEMBL2577600 0.79 LIPE (0.43) DRD2DRD1LIPEMAPTTDP1
SCHEMBL2575343 0.79 LIPE (0.43) DRD2DRD1LIPEMAPTTDP1
SCHEMBL4003187 0.79 MAPK1 (0.49) DRD2DRD1LIPEMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 EP 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 (1 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-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 PTGER1 328/4885PTGS2 1865/4885DRD2 1048/4885

“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.