SCHEMBL17717577

SCHEMBL17717577

C=C(C)C1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.70
▸ CA9 Q16790 4/20 0.67
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ PTPN1 P18031 3/20 0.62
▸ USP2 O75604 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ HIF1A Q16665 2/20 0.62
▸ NT5E P21589 2/20 0.62
▸ TOP2A P11388 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ PTGES O14684 1/20 0.59
▸ PRKCG P05129 1/20 0.57
▸ AKR1B10 O60218 1/20 0.56
▸ ALB P02768 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ GLI1 P08151 1/20 0.56
▸ AKR1B1 P15121 1/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ RORC P51449 1/20 0.56

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
SCHEMBL16272376 1.00 SLC10A1 (0.70) SLC10A1CA9CA1CA2PTPN1
SCHEMBL16263918 1.00 SLC10A1 (0.70) SLC10A1CA9CA1CA2PTPN1
SCHEMBL16979310 1.00 SLC10A1 (0.70) SLC10A1CA9CA1CA2PTPN1
SCHEMBL14374364 0.91 CA9 (0.61) SLC10A1CA9CA1CA2PTPN1
SCHEMBL25748597 0.91 SLC10A1 (0.71) SLC10A1CA9CA1CA2PTPN1
SCHEMBL13098063 0.91 PTPN1 (0.76) SLC10A1CA9CA1CA2PTPN1
SCHEMBL16994315 0.91 PTPN1 (0.76) SLC10A1CA9CA1CA2PTPN1
SCHEMBL2733084 0.91 PTPN1 (0.76) SLC10A1CA9CA1CA2PTPN1
SCHEMBL6112842 0.91 PTPN1 (0.76) SLC10A1CA9CA1CA2PTPN1
SCHEMBL214201 0.91 PTPN1 (0.76) SLC10A1CA9CA1CA2PTPN1

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-20170348324-A1 DERIVATIVES OF BETULIN GLAXOSMITHKLINE LLC (US) 2017-12-07 — — US disclosed
US-20170252356-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HIV WITH DERIVATIVES OF BETULIN GLAXOSMITHKLINE LLC 2017-09-07 — — US disclosed
US-20160120878-A1 DERIVATIVES OF BETULIN GLAXOSMITHKLINE LLC 2016-05-05 — — 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 (3 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-20170252356-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HIV WITH DERIVATIVES OF BETULIN BET1, PGGT1B, TMPO SLC10A1 156/4885CA9 3227/4885CA1 4420/4885
US-20170348324-A1 DERIVATIVES OF BETULIN BET1, TMPO, PGGT1B SLC10A1 112/4885CA9 3476/4885CA1 4200/4885
US-20160120878-A1 DERIVATIVES OF BETULIN BET1, PGGT1B, TMPO SLC10A1 113/4885CA9 3642/4885CA1 4302/4885

“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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