SCHEMBL23704682

SCHEMBL23704682

CC(CCC(=O)OCOC(=O)CCP(=O)(CC(CCC(=O)O)C(=O)O)OCc1ccccc1)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.60
▸ PDE3A Q14432 2/20 0.60
▸ NR1H4 Q96RI1 2/20 0.60
▸ TBXA2R P21731 1/20 0.60
▸ SLC10A2 Q12908 1/20 0.60
▸ CA1 P00915 8/20 0.60
▸ CA2 P00918 8/20 0.60
▸ MAPT P10636 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP3A4 P08684 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL23704681 1.00 GPBAR1 (0.60) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL30103323 0.93 CA1 (0.64) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL26424224 0.93 CA1 (0.64) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL26424218 0.93 CA1 (0.64) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL26086521 0.92 CA1 (0.64) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL26086519 0.92 CA1 (0.64) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL23704678 0.90 GPBAR1 (0.58) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL23704680 0.90 GPBAR1 (0.58) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL26426560 0.89 CA1 (0.59) GPBAR1PDE3ANR1H4TBXA2RSLC10A2
SCHEMBL26426583 0.88 CA1 (0.66) GPBAR1PDE3ANR1H4TBXA2RSLC10A2

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 GPBAR1 2/4885PDE3A 1104/4885NR1H4 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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