SCHEMBL26424317

SCHEMBL26424317

CCCCOC(=O)[C@@H](CCC(=O)OCCl)CP(=O)(OCCCC)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.45
FOLH1 Q04609 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
CCKBR P32239 1/20 0.36
P2RY10 O00398 1/20 0.35

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
SCHEMBL23710366 0.87 FOLH1 (0.47) CETPFOLH1ALDH1A1TSHRMAPK1
SCHEMBL23710384 0.87 FOLH1 (0.47) CETPFOLH1ALDH1A1TSHRMAPK1
SCHEMBL26427320 0.87 FOLH1 (0.47) CETPFOLH1ALDH1A1TSHRMAPK1
SCHEMBL26424316 0.87 P2RY10 (0.36) ALDH1A1CYP3A4LPAR1LPAR3P2RY10
SCHEMBL26424122 0.87 P2RY10 (0.36) ALDH1A1CYP3A4LPAR1LPAR3P2RY10
SCHEMBL26424068 0.84 FOLH1 (0.49) CETPFOLH1ALDH1A1CYP3A4TSHR
SCHEMBL23704703 0.84 FOLH1 (0.57) FOLH1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL6381693 0.80 FOLH1 (0.51) CETPFOLH1ALDH1A1TSHRMAPK1
SCHEMBL20214855 0.78 MEN1 (0.45) CETPFOLH1ALDH1A1MEN1HPGD
SCHEMBL23710362 0.78 FOLH1 (0.44) CETPFOLH1ALDH1A1TSHRMAPK1

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 CETP 291/4885FOLH1 828/4885ALDH1A1 2119/4885

“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.