SCHEMBL23704743

SCHEMBL23704743

CC(CCC(=O)OCc1ccccc1)C1CCC2C3CCC4C[C@H](OC(=O)OCOC(=O)CCC(CP(=O)(OCc5ccccc5)OCc5ccccc5)C(=O)O)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ USP2 O75604 1/20 0.51
▸ VDR P11473 1/20 0.51
▸ ST6GAL1 P15907 6/20 0.49
▸ EPHA2 P29317 2/20 0.47

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
SCHEMBL26426121 0.96 CA1 (0.53) CA1CA2USP2VDRST6GAL1
SCHEMBL23704719 0.92 CA1 (0.56) CA1CA2USP2
SCHEMBL23704694 0.89 CA1 (0.62) CA1CA2USP2VDREPHA2
SCHEMBL23704693 0.89 CA1 (0.62) CA1CA2USP2VDREPHA2
SCHEMBL23710501 0.88 CA1 (0.56) CA1CA2USP2
SCHEMBL23710522 0.87 CA1 (0.54) CA1CA2
SCHEMBL26425714 0.86 CA1 (0.63) CA1CA2USP2VDREPHA2
SCHEMBL30103320 0.86 CA1 (0.63) CA1CA2USP2VDREPHA2
SCHEMBL23710526 0.85 CA1 (0.60) CA1CA2USP2VDRST6GAL1
SCHEMBL23710378 0.85 CA1 (0.60) CA1CA2USP2VDRST6GAL1

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 3 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
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 2810/4885USP2 1886/4885

“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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