SCHEMBL26425206

SCHEMBL26425206

CC(CCC(=O)OCOC(=O)CC[C@@H](C)C1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.76
▸ HIF1A Q16665 3/20 0.76
▸ VDR P11473 3/20 0.76
▸ CYP2C9 P11712 2/20 0.76
▸ EPHA2 P29317 7/20 0.74
▸ CASP7 P55210 3/20 0.74
▸ TP53 P04637 2/20 0.74
▸ MAPK1 P28482 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ BLM P54132 2/20 0.74
▸ TDP1 Q9NUW8 2/20 0.74
▸ USP2 O75604 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ MDM4 O15151 1/20 0.74
▸ MAPT P10636 1/20 0.74
▸ HSPD1 P10809 1/20 0.74
▸ TSHR P16473 1/20 0.74
▸ PTPN2 P17706 1/20 0.74
▸ PTPN1 P18031 1/20 0.74
▸ BRCA1 P38398 1/20 0.74

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 0.89 MAPT (0.77) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL14362336 0.89 GPBAR1 (0.79) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL5442890 0.89 GPBAR1 (0.81) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL5442887 0.89 GPBAR1 (0.81) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL13648593 0.89 GPBAR1 (0.81) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL19565489 0.89 GPBAR1 (0.81) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL26425301 0.88 GPBAR1 (0.76) GPBAR1TDP1CYP3A4NR1H4LMNA
SCHEMBL26425795 0.88 GPBAR1 (0.73) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL5434017 0.88 GPBAR1 (0.80) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL5434014 0.88 GPBAR1 (0.80) GPBAR1HIF1AVDRCYP2C9EPHA2

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 2/4885HIF1A 4640/4885VDR 2392/4885

“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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