SCHEMBL6112658

SCHEMBL6112658

C=C(C)[C@@H]1CC[C@]2(Cc3cn(C(=O)O)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.62
▸ PTGES O14684 2/20 0.62
▸ SLC10A1 Q14973 2/20 0.59
▸ PRKCG P05129 1/20 0.55
▸ PRKCD Q05655 1/20 0.54
▸ NT5E P21589 5/20 0.53
▸ CETP P11597 1/20 0.53
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ PTPN1 P18031 1/20 0.52

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
SCHEMBL6112691 0.90 PTPN1 (0.64) PTGESNT5EPTPN1
SCHEMBL3787381 0.83 CA9 (0.62) CA9PTGESSLC10A1PRKCGPRKCD
SCHEMBL3787385 0.83 CA9 (0.62) CA9PTGESSLC10A1PRKCGPRKCD
SCHEMBL6112670 0.82 PTPN1 (0.51) PTGESSLC10A1NT5EPTPN1
SCHEMBL2733537 0.82 PTGES (0.83) CA9PTGESSLC10A1PRKCDNT5E
SCHEMBL6112807 0.82 PTGES (0.83) CA9PTGESSLC10A1PRKCDNT5E
SCHEMBL10214430 0.82 PTGES (0.83) CA9PTGESSLC10A1PRKCDNT5E
SCHEMBL14345008 0.82 PTGES (0.83) CA9PTGESSLC10A1PRKCDNT5E
SCHEMBL214200 0.82 PTGES (0.83) CA9PTGESSLC10A1PRKCDNT5E
SCHEMBL23626121 0.81 CA9 (0.79) CA9PTGESSLC10A1PRKCDNT5E

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-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

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 CA9 362/4885PTGES 1262/4885SLC10A1 43/4885

“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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