SCHEMBL26425237

SCHEMBL26425237

CC(CCC(=O)OCOC(=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 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.77
▸ MAPK1 P28482 3/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ USP2 O75604 2/20 0.77
▸ LMNA P02545 1/20 0.77
▸ GPBAR1 Q8TDU6 8/20 0.75
▸ SLC10A2 Q12908 2/20 0.75
▸ NR1H4 Q96RI1 2/20 0.75
▸ TBXA2R P21731 1/20 0.75
▸ PDE3A Q14432 1/20 0.75
▸ CA1 P00915 2/20 0.66
▸ CA2 P00918 2/20 0.66
▸ ABCC4 O15439 1/20 0.62
▸ HIF1A Q16665 2/20 0.61
▸ VDR P11473 2/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP3A4 P08684 3/20 0.59
▸ SLCO1B3 Q9NPD5 1/20 0.59
▸ SLCO1B1 Q9Y6L6 1/20 0.59

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
SCHEMBL26425322 0.93 GPBAR1 (0.76) MAPTMAPK1MEN1KMT2AUSP2
SCHEMBL26425523 0.91 MAPT (0.80) MAPTMAPK1MEN1KMT2AUSP2
SCHEMBL22699678 0.89 MAPT (0.83) MAPTMAPK1MEN1KMT2AUSP2
SCHEMBL4971166 0.89 MAPT (0.83) MAPTMAPK1MEN1KMT2AUSP2
SCHEMBL26425206 0.89 GPBAR1 (0.76) MAPTMAPK1USP2LMNAGPBAR1
SCHEMBL23710355 0.89 MAPT (0.81) MAPTMAPK1MEN1KMT2AUSP2
SCHEMBL5431048 0.89 MAPT (0.81) MAPTMAPK1MEN1KMT2AUSP2
SCHEMBL2260486 0.89 MAPT (0.81) MAPTMAPK1MEN1KMT2AUSP2
SCHEMBL1014063 0.89 MAPT (0.81) MAPTMAPK1MEN1KMT2AUSP2
SCHEMBL18216458 0.89 MAPT (0.81) MAPTMAPK1MEN1KMT2AUSP2

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 MAPT 751/4885MAPK1 554/4885MEN1 3849/4885

“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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