SCHEMBL19361007

SCHEMBL19361007

COC(=O)CC[C@@H](C)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](NC(=O)CCCC(=O)N[C@H]2CC[C@@]4(C)C(C2)C[C@H](O)C2C4CC[C@@]4(C)C2CC[C@@H]4[C@H](C)CCC(=O)OC)CC1C[C@H]3O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.75
▸ SLC10A1 Q14973 3/20 0.72
▸ NR3C1 P04150 1/20 0.70
▸ CYP3A4 P08684 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ SLCO1B3 Q9NPD5 1/20 0.60
▸ SLCO1B1 Q9Y6L6 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ NR1H4 Q96RI1 4/20 0.59
▸ ABCB11 O95342 3/20 0.59
▸ SLC10A2 Q12908 2/20 0.59
▸ ENPP2 Q13822 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
▸ CISD1 Q9NZ45 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
SCHEMBL25943617 1.00 GPBAR1 (0.75) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL25943561 1.00 GPBAR1 (0.75) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL25943472 0.91 SLC10A1 (0.75) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL19360960 0.91 SLC10A1 (0.75) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL19364465 0.91 SLC10A1 (0.75) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL25947299 0.91 SLC10A1 (0.75) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL19364466 0.91 SLC10A1 (0.75) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL19360995 0.91 SLC10A1 (0.75) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL23845875 0.88 GPBAR1 (0.79) GPBAR1SLC10A1NR3C1CYP3A4MEN1
SCHEMBL16625461 0.86 GPBAR1 (0.73) GPBAR1SLC10A1NR3C1CYP3A4MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266206-A1 POLYMERIC BILE ACID DERIVATIVES INHIBIT HEPATITIS B AND D VIRUS AND NTCP TRANSPORT HUAHUI HEALTH LTD. (CN) 2017-09-21 — — US disclosed
US-20170266206-A1 POLYMERIC BILE ACID DERIVATIVES INHIBIT HEPATITIS B AND D VIRUS AND NTCP TRANSPORT HUAHUI HEALTH LTD. (CN) 2017-09-21 — — 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-20170266206-A1 POLYMERIC BILE ACID DERIVATIVES INHIBIT HEPATITIS B AND D VIRUS AND NTCP TRANSPORT SLC10A1, SLC10A2, ABCB11 GPBAR1 17/4885SLC10A1 1/4885NR3C1 1552/4885

“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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