SCHEMBL3791454

SCHEMBL3791454

C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](c6nccn6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.57
▸ CA9 Q16790 4/20 0.55
▸ PTGES O14684 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ NT5E P21589 4/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TOP2A P11388 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ PRKCG P05129 1/20 0.48

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
SCHEMBL3791455 1.00 SLC10A1 (0.57) SLC10A1CA9PTGESCA1CA2
SCHEMBL3797717 0.91 NT5E (0.61) SLC10A1CA9PTGESCA1CA2
SCHEMBL3797721 0.91 NT5E (0.61) SLC10A1CA9PTGESCA1CA2
SCHEMBL6119088 0.86 RORC (0.50) PTGESNT5EUSP2LMNAHIF1A
SCHEMBL6119298 0.85 SLC10A1 (0.65) SLC10A1CA9PTGESCA1CA2
SCHEMBL6119253 0.83 CA9 (0.67) SLC10A1CA9PTGESCA1CA2
SCHEMBL3798874 0.83 SLC10A1 (0.57) SLC10A1CA9PTGESCA1CA2
SCHEMBL6112780 0.82 PTPN1 (0.62) SLC10A1CA9CA1CA2NT5E
SCHEMBL3787385 0.81 CA9 (0.62) SLC10A1CA9PTGESCA1CA2
SCHEMBL3787381 0.81 CA9 (0.62) SLC10A1CA9PTGESCA1CA2

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-8969395-B2 Triterpenoid derivatives useful as antiproliferative agents UNIVERSIDADE DE COIMBRA (PT) 2015-03-03 — — US disclosed
US-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS UNIVERSIDADE DE COIMBRA (PT) 2012-05-24 — — US disclosed
WO-2010134830-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS UNIVERSIDADE DE COIMBRA (PT) 2010-11-25 — — 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-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS ALPI, LSS, CYP46A1 SLC10A1 43/4885CA9 362/4885PTGES 1262/4885

“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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