SCHEMBL23704699

SCHEMBL23704699

CC(CCC(=O)O)[C@H]1CCC2C3CCC4C[C@H](OC(=O)CCP(=O)(CC(CCC(=O)OCc5ccccc5)C(=O)OCc5ccccc5)OCc5ccccc5)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.55
▸ CA2 P00918 4/20 0.55
▸ GPBAR1 Q8TDU6 3/20 0.52
▸ NR1H4 Q96RI1 2/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ SLC10A2 Q12908 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ MAPT P10636 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ VDR P11473 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
SCHEMBL23704697 1.00 CA1 (0.55) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL26426713 1.00 CA1 (0.55) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL26424229 0.96 GPBAR1 (0.51) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL26424224 0.90 CA1 (0.64) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL30103323 0.90 CA1 (0.64) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL26424218 0.90 CA1 (0.64) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL23710454 0.90 GPBAR1 (0.57) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL26426698 0.88 GPBAR1 (0.58) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL23710501 0.87 CA1 (0.56) CA1CA2GPBAR1NR1H4TBXA2R
SCHEMBL23704681 0.87 GPBAR1 (0.60) CA1CA2GPBAR1NR1H4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4097119-B1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES UNIV JOHNS HOPKINS (US) 2025-05-07 — — EP disclosed
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
EP-4097119-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES The Johns Hopkins University (US) 2022-12-07 — — EP 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 2810/4885GPBAR1 2/4885

“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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