SCHEMBL20957464

SCHEMBL20957464

COC(=O)c1ccc([C@@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H](C(C)C)CC[C@]6(N)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 12/20 0.59
▸ NR1H4 Q96RI1 5/20 0.52
▸ PRKCD Q05655 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL14672834 1.00 GPBAR1 (0.59) GPBAR1NR1H4PRKCDTDP1
SCHEMBL19487671 1.00 GPBAR1 (0.59) GPBAR1NR1H4PRKCDTDP1
SCHEMBL20957455 1.00 GPBAR1 (0.59) GPBAR1NR1H4PRKCDTDP1
SCHEMBL20993895 1.00 GPBAR1 (0.59) GPBAR1NR1H4PRKCDTDP1
Hydrochloric Acid SCHEMBL20957470 0.99 GPBAR1 (0.59) GPBAR1NR1H4PRKCDTDP1
SCHEMBL20993931 0.93 GPBAR1 (0.51) GPBAR1NR1H4PRKCDTDP1
SCHEMBL20993896 0.93 GPBAR1 (0.51) GPBAR1NR1H4PRKCDTDP1
SCHEMBL20957465 0.91 GPBAR1 (0.57) GPBAR1NR1H4PRKCD
SCHEMBL20993981 0.91 GPBAR1 (0.57) GPBAR1NR1H4PRKCD
SCHEMBL19488376 0.91 GPBAR1 (0.57) GPBAR1NR1H4PRKCD

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-20190135857-A1 TRITERPENOID INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — 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-20190135857-A1 TRITERPENOID INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CYP51A1, LSS, CCNI GPBAR1 3425/4885NR1H4 1283/4885PRKCD 3066/4885

“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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