SCHEMBL26424316

SCHEMBL26424316

CCCCOC(=O)[C@H](CCC(=O)OCCl)CP(=O)(OCCCC)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 5/20 0.36
GPR34 Q9UPC5 2/20 0.36
CYP3A4 P08684 1/20 0.34
DGKA P23743 1/20 0.34
ENPP2 Q13822 5/20 0.34
LPAR6 P43657 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR4 Q99677 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
PLA2G2A P14555 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL26424122 1.00 P2RY10 (0.36) P2RY10GPR34CYP3A4DGKAENPP2
SCHEMBL26424317 0.87 CETP (0.45) P2RY10CYP3A4LPAR1LPAR3ALDH1A1
SCHEMBL26424133 0.83 FOLH1 (0.39) P2RY10GPR34CYP3A4ALDH1A1
SCHEMBL21804584 0.77 DGKA (0.49) P2RY10GPR34DGKAENPP2LPAR6
SCHEMBL25231423 0.74 DGKA (0.48) CYP3A4DGKAALDH1A1
SCHEMBL16542326 0.73 HTR2C (0.37) P2RY10GPR34DGKAPLA2G2AALDH1A1
SCHEMBL22828741 0.73 LMNA (0.39) CYP3A4ALDH1A1
SCHEMBL23923374 0.72 HTR2C (0.39) P2RY10GPR34DGKAENPP2LPAR6
SCHEMBL26108904 0.71 DGKA (0.64) CYP3A4DGKAALDH1A1
SCHEMBL2239484 0.70 DGKA (0.48) P2RY10GPR34CYP3A4DGKALPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-04-27 US 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-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) SLC10A2, GPBAR1, NR1H4 P2RY10 826/4885GPR34 1028/4885CYP3A4 1476/4885

“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.