SCHEMBL26425322

SCHEMBL26425322

CC(CCC(=O)OCOC(=O)CNC(=O)CC[C@@H](C)C1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.76
▸ MAPT P10636 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ USP2 O75604 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ SLC10A2 Q12908 2/20 0.66
▸ TBXA2R P21731 1/20 0.66
▸ PDE3A Q14432 1/20 0.66
▸ NR1H4 Q96RI1 1/20 0.66
▸ ABCC4 O15439 1/20 0.65
▸ VDR P11473 2/20 0.61
▸ EPHA2 P29317 1/20 0.61
▸ ABCB11 O95342 1/20 0.59
▸ CA1 P00915 5/20 0.59
▸ CA2 P00918 5/20 0.59
▸ CYP2C9 P11712 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL26425237 0.93 MAPT (0.77) GPBAR1MAPTKMT2AMEN1USP2
SCHEMBL23710380 0.91 GPBAR1 (0.78) GPBAR1MAPTKMT2AMEN1USP2
SCHEMBL23704698 0.90 GPBAR1 (0.69) GPBAR1MAPTKMT2AMEN1USP2
SCHEMBL23710358 0.90 GPBAR1 (0.69) GPBAR1MAPTKMT2AMEN1USP2
SCHEMBL23704700 0.90 GPBAR1 (0.69) GPBAR1MAPTKMT2AMEN1USP2
SCHEMBL26425971 0.89 GPBAR1 (0.66) GPBAR1MAPTKMT2AMEN1USP2
SCHEMBL26424557 0.89 GPBAR1 (0.68) GPBAR1MAPTKMT2AMEN1USP2
SCHEMBL26426372 0.88 GPBAR1 (0.77) GPBAR1MAPTKMT2AMEN1USP2
SCHEMBL26423992 0.87 GPBAR1 (0.67) GPBAR1MAPTKMT2AMEN1USP2
Glycodeoxycholate SCHEMBL23704978 0.86 GPBAR1 (1.00) GPBAR1MAPTKMT2AMEN1USP2

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 1 patent. 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

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 2/4885MAPT 751/4885KMT2A 2142/4885

“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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