Sugi Predict

Sugi Predict / Compounds / SCHEMBL19360964

SCHEMBL19360964

SCHEMBL19360964

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@H](OC(=O)CCC(=O)O[C@H]5CC[C@]6(C)C(C5)C[C@@H](O)[C@@H]5[C@H]7CC[C@@H]([C@@H](C)CCC(=O)NCCS(=O)(=O)O)[C@]7(C)CC[C@H]56)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.94

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 7/20 0.94
▸ GPBAR1 Q8TDU6 12/20 0.79
▸ NR1H4 Q96RI1 4/20 0.79
▸ SLC10A2 Q12908 3/20 0.79
▸ ABCC4 O15439 3/20 0.79
▸ ABCB11 O95342 1/20 0.79
▸ PLA2G1B P04054 1/20 0.79
▸ ENPP2 Q13822 1/20 0.79
▸ VDR P11473 1/20 0.63

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
SCHEMBL25943490 1.00 SLC10A1 (0.94) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL19364448 1.00 SLC10A1 (0.94) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL19364456 1.00 SLC10A1 (0.94) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL19360997 1.00 SLC10A1 (0.94) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL19360972 0.97 SLC10A1 (0.97) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL17641315 0.97 SLC10A1 (1.00) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL19364451 0.97 SLC10A1 (0.97) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL19360963 0.97 SLC10A1 (1.00) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL19364433 0.97 SLC10A1 (1.00) SLC10A1GPBAR1NR1H4SLC10A2ABCC4
SCHEMBL19361003 0.97 SLC10A1 (0.97) SLC10A1GPBAR1NR1H4SLC10A2ABCC4

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 SLC10A1 1/4885GPBAR1 17/4885NR1H4 6/4885

“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.