SCHEMBL4815023

SCHEMBL4815023

OC[C@@H]1S[C@H](Oc2ccc(Cl)cc2Cc2ccc(F)cc2F)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.41
CYP2C9 P11712 5/20 0.35
CYP2C19 P33261 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 3/20 0.35
TBXA2R P21731 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
SLC5A1 P13866 3/20 0.34
SLC5A2 P31639 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL4815015 1.00 PTGER1 (0.41) PTGER1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4817695 0.89 PTGER1 (0.40) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL4817702 0.89 PTGER1 (0.40) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL4809778 0.86 SLC5A2 (0.38) PTGER1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4809775 0.86 SLC5A2 (0.38) PTGER1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4807931 0.84 SLC5A2 (0.36) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL4807926 0.84 SLC5A2 (0.36) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL4817939 0.84 PTGER1 (0.35) PTGER1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4817946 0.84 PTGER1 (0.35) PTGER1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4813331 0.83 HTR2C (0.39) PTGER1CYP2C9CYP2C19CYP1A2CYP3A4

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-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-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-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 (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-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same SLC5A2, SLC5A1, UGGT1 PTGER1 3048/4885CYP2C9 1076/4885CYP2C19 1225/4885

“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.