SCHEMBL3798875

SCHEMBL3798875

C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H]([N+]6(C(=O)[O-])C=CN=N6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.56
▸ CA9 Q16790 4/20 0.54
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ PTGES O14684 1/20 0.50
▸ PTPN1 P18031 3/20 0.49
▸ USP2 O75604 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ NT5E P21589 2/20 0.49
▸ TOP2A P11388 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ ALB P02768 2/20 0.47
▸ AKR1B10 O60218 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GLI1 P08151 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL3796643 0.91 PTPN1 (0.61) SLC10A1CA9CA1CA2PTGES
SCHEMBL23626101 0.81 SLC10A1 (0.69) SLC10A1CA9CA1CA2PTGES
SCHEMBL6112660 0.80 CA9 (0.62) SLC10A1CA9CA1CA2PTGES
SCHEMBL6119143 0.80 ALB (0.51) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL6112842 0.80 PTPN1 (0.76) SLC10A1CA9CA1CA2PTGES
SCHEMBL16994315 0.80 PTPN1 (0.76) SLC10A1CA9CA1CA2PTGES
SCHEMBL214201 0.80 PTPN1 (0.76) SLC10A1CA9CA1CA2PTGES
SCHEMBL13098063 0.80 PTPN1 (0.76) SLC10A1CA9CA1CA2PTGES
SCHEMBL2733084 0.80 PTPN1 (0.76) SLC10A1CA9CA1CA2PTGES
SCHEMBL16272376 0.80 SLC10A1 (0.70) SLC10A1CA9CA1CA2PTGES

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 362/4885CA1 30/4885

“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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