SCHEMBL23704680

SCHEMBL23704680

CC(CCNC(=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 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.58
▸ SLC10A2 Q12908 2/20 0.58
▸ TBXA2R P21731 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ NR1H4 Q96RI1 1/20 0.58
▸ CA1 P00915 8/20 0.55
▸ CA2 P00918 8/20 0.55
▸ ABCC4 O15439 1/20 0.54
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ EPHA2 P29317 2/20 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
SCHEMBL23704678 1.00 GPBAR1 (0.58) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL26424243 0.92 CA1 (0.54) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL26426837 0.91 CA1 (0.59) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL30103327 0.91 CA1 (0.59) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL23704682 0.90 GPBAR1 (0.60) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL23704681 0.90 GPBAR1 (0.60) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL26426821 0.89 GPBAR1 (0.60) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL23710349 0.86 GPBAR1 (0.67) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL23704718 0.86 GPBAR1 (0.67) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL23704717 0.86 GPBAR1 (0.67) GPBAR1SLC10A2TBXA2RPDE3ANR1H4

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 2/4885SLC10A2 1/4885TBXA2R 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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