SCHEMBL23710522

SCHEMBL23710522

C[C@H](CCC(=O)OCc1ccccc1)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](OC(=O)OCOC(=O)CCC(CP(=O)(OCc2ccccc2)OCc2ccccc2)C(=O)OCc2ccccc2)C[C@H]1C[C@@H]3O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.54
▸ CA2 P00918 5/20 0.54
▸ NR1H4 Q96RI1 5/20 0.53
▸ GPBAR1 Q8TDU6 5/20 0.48
▸ SLC10A1 Q14973 4/20 0.47
▸ SLC10A2 Q12908 3/20 0.47
▸ NR3C1 P04150 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ABCB11 O95342 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ENPP2 Q13822 1/20 0.45
▸ CISD1 Q9NZ45 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
SCHEMBL30103330 0.93 CA1 (0.55) CA1CA2NR1H4GPBAR1SLC10A1
SCHEMBL26426121 0.91 CA1 (0.53) CA1CA2
SCHEMBL26425773 0.91 NR1H4 (0.64) CA1CA2NR1H4GPBAR1SLC10A1
SCHEMBL30103315 0.91 NR1H4 (0.64) CA1CA2NR1H4GPBAR1SLC10A1
SCHEMBL26425786 0.91 NR1H4 (0.64) CA1CA2NR1H4GPBAR1SLC10A1
SCHEMBL26424157 0.90 CA1 (0.51) CA1CA2NR1H4GPBAR1SLC10A1
SCHEMBL23704729 0.89 CA1 (0.55) CA1CA2NR1H4GPBAR1SLC10A1
SCHEMBL23704726 0.89 CA1 (0.55) CA1CA2NR1H4GPBAR1SLC10A1
SCHEMBL23704743 0.87 CA1 (0.53) CA1CA2
SCHEMBL23705051 0.86 NR1H4 (0.63) CA1CA2NR1H4GPBAR1SLC10A1

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 2 patents. 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
WO-2021155167-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2021-08-05 — — WO 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 CA1 3966/4885CA2 2810/4885NR1H4 3/4885

“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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