SCHEMBL26425829

SCHEMBL26425829

CC(CCC(=O)OCOC(=O)CC[C@@H](C)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCCC[C@H]1C[C@@H]3O)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 14/20 0.75
▸ NR1H4 Q96RI1 5/20 0.75
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ ABCB11 O95342 2/20 0.59
▸ SLC10A2 Q12908 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ENPP2 Q13822 1/20 0.59
▸ SLC10A1 Q14973 1/20 0.59
▸ CISD1 Q9NZ45 1/20 0.59
▸ CYP3A4 P08684 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
SCHEMBL26425301 0.90 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL17641189 0.87 GPBAR1 (0.74) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL26425782 0.87 GPBAR1 (0.64) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL25926256 0.87 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL25926254 0.87 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL23483145 0.87 GPBAR1 (0.80) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL25947987 0.87 GPBAR1 (0.80) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19781078 0.87 GPBAR1 (0.80) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL17641285 0.87 GPBAR1 (0.80) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL20208271 0.87 GPBAR1 (0.80) GPBAR1NR1H4MEN1KMT2AABCB11

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 2/4885NR1H4 3/4885MEN1 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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