SCHEMBL2581948

SCHEMBL2581948

COC(=O)c1ccccc1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.51
TACR2 P21452 3/20 0.48
NT5E P21589 1/20 0.48
CDC25B P30305 6/20 0.46
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
PTPN2 P17706 5/20 0.45
PTPN11 Q06124 4/20 0.44
PTPN6 P29350 3/20 0.44
BCHE P06276 1/20 0.44
HTR1A P08908 1/20 0.42

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
SCHEMBL5270130 0.83 NT5E (0.48) PTPN1TACR2NT5ECDC25BSSTR1
SCHEMBL30021963 0.81 HTR1A (0.47) PTPN1TACR2NT5ECDC25BSSTR1
SCHEMBL28516241 0.80 PTPN1 (0.50) PTPN1TACR2NT5ECDC25BSSTR1
SCHEMBL20473776 0.80 PTPN1 (0.50) PTPN1TACR2NT5ECDC25BSSTR1
SCHEMBL1550942 0.80 SLC5A2 (0.46) PTPN1TACR2NT5EBCHE
SCHEMBL2575933 0.79 HTR1A (0.45) PTPN1TACR2NT5ECDC25BSSTR1
SCHEMBL5207672 0.79 NT5E (0.55) PTPN1TACR2NT5ECDC25BSSTR1
SCHEMBL7151712 0.79 TACR2 (0.51) PTPN1TACR2NT5ECDC25BSSTR1
SCHEMBL2579063 0.78 HTR1A (0.44) PTPN1TACR2NT5ECDC25BSSTR1
SCHEMBL5273546 0.78 NT5E (0.48) PTPN1TACR2NT5ECDC25BSSTR1

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 3 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
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 PTPN1 215/4885TACR2 1661/4885NT5E 4314/4885

“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.