SCHEMBL23710354

SCHEMBL23710354

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.68
▸ VDR P11473 4/20 0.68
▸ HIF1A Q16665 3/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ EPHA2 P29317 8/20 0.66
▸ CASP7 P55210 3/20 0.66
▸ TP53 P04637 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ BLM P54132 2/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ USP2 O75604 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ MDM4 O15151 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ HSPD1 P10809 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ PTPN2 P17706 1/20 0.66
▸ PTPN1 P18031 1/20 0.66
▸ BRCA1 P38398 1/20 0.66

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
SCHEMBL23705364 1.00 GPBAR1 (0.68) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23705362 1.00 GPBAR1 (0.68) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL26423885 0.93 GPBAR1 (0.67) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23704741 0.91 MAPT (0.70) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23710353 0.91 MAPT (0.70) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23704727 0.91 MAPT (0.70) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23710352 0.91 MAPT (0.70) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23704728 0.91 MAPT (0.70) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23710351 0.91 MAPT (0.70) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23710357 0.89 GPBAR1 (0.68) GPBAR1TDP1CYP3A4NR1H4LMNA

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
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
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 2/4885VDR 2392/4885HIF1A 4640/4885

“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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