SCHEMBL26424229

SCHEMBL26424229

CC(=O)CCC(CP(=O)(CCC(=O)O[C@@H]1CC[C@]2(C)C3C[C@H](O)[C@@]4(C)C(CC[C@@H]4[C@H](C)CCC(=O)O)C3CC[C@@H]2C1)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.51
▸ NR1H4 Q96RI1 2/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ SLC10A2 Q12908 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ USP2 O75604 2/20 0.47
▸ VDR P11473 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ST6GAL1 P15907 1/20 0.45

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
SCHEMBL23704699 0.96 CA1 (0.55) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL23704697 0.96 CA1 (0.55) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL26426713 0.96 CA1 (0.55) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL23710454 0.90 GPBAR1 (0.57) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL26426698 0.88 GPBAR1 (0.58) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL30103323 0.87 CA1 (0.64) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL26424218 0.87 CA1 (0.64) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL26424224 0.87 CA1 (0.64) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL23704681 0.85 GPBAR1 (0.60) GPBAR1NR1H4TBXA2RSLC10A2PDE3A
SCHEMBL23704682 0.85 GPBAR1 (0.60) GPBAR1NR1H4TBXA2RSLC10A2PDE3A

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 GPBAR1 2/4885NR1H4 3/4885TBXA2R 1912/4885

“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.

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