SCHEMBL2579113

SCHEMBL2579113

OC(c1ccc(C(F)(F)F)cc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.46
PTPN1 P18031 3/20 0.45
PTPN2 P17706 2/20 0.45
PTPN6 P29350 2/20 0.45
PTPRC P08575 1/20 0.45
PTPRB P23467 1/20 0.45
PTPN11 Q06124 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
FFAR1 O14842 1/20 0.42
CNR2 P34972 1/20 0.42
SCD O00767 1/20 0.41
SGMS2 Q8NHU3 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL2575343 0.86 LIPE (0.43) RXRARXRBRXRGDRD2DRD1
SCHEMBL31041187 0.86 SLC6A9 (0.47) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2580807 0.86 PPIA (0.47) PPIAPTPN1PTPN6RXRARXRB
SCHEMBL477534 0.85 DRD2 (0.55) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2579112 0.84 RXRA (0.46) RXRARXRBRXRGDRD2DRD1
SCHEMBL2577640 0.82 SGMS2 (0.54) PPIARXRARXRBDRD2DRD1
SCHEMBL2578523 0.82 SGMS2 (0.54) RXRARXRBRXRGDRD2DRD1
SCHEMBL2577406 0.82 LIPE (0.46) RXRARXRBDRD2DRD1SGMS2
SCHEMBL2575133 0.82 DRD2 (0.46) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL1539311 0.81 LIPE (0.45) RXRARXRBRXRGDRD2DRD1

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 9 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
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
US-7414072-B2 Aryl 5-thio-β-d-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-08-19 US disclosed
US-7250522-B2 Method for selective preparation of aryl 5-thio-β-D-aldohexopyranosides TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-07-31 US 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
US-20050256317-A1 Process for selective production of aryl 5-thio-beta-d- aldohexopyranosides TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
US-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. 2005-09-22 US disclosed
EP-1541578-A1 PROCESS FOR SELECTIVE PRODUCTION OF ARYL 5-THIO-BETA-D-ALDOHEXOPYRANOSIDES TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-06-15 EP disclosed
EP-1528066-A1 ARYL 5-THIO-D-GLUCOPYRANOSIDE DERIVATIVES AND REMEDIES FOR DIABETES CONTAINING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-05-04 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 (3 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 PPIA 3257/4885PTPN1 215/4885PTPN2 528/4885
US-20050256317-A1 Process for selective production of aryl 5-thio-beta-d- aldohexopyranosides ALDOA, DERA, AKR1D1 PPIA 2566/4885PTPN1 284/4885PTPN2 298/4885
US-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same SLC5A2, SLC5A1, UGGT1 PPIA 2790/4885PTPN1 371/4885PTPN2 326/4885

“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.