SCHEMBL7082866

SCHEMBL7082866

C=C1CC[C@@]2(C)CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@H]12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STS P08842 20/20 0.68
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA9 Q16790 2/20 0.62
ESR1 P03372 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
ESR2 Q92731 1/20 0.62

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
SCHEMBL7082868 1.00 STS (0.68) STSCA1CA2CA9ESR1
SCHEMBL7083757 0.84 STS (0.49) STSCA1CA2CA9ESR1
SCHEMBL7083754 0.84 STS (0.49) STSCA1CA2CA9ESR1
SCHEMBL6871662 0.82 STS (0.69) STSCA1CA2CA9ESR1
SCHEMBL3384071 0.81 STS (1.00) STSCA1CA2CA9ESR1
SCHEMBL3384069 0.81 STS (1.00) STSCA1CA2CA9ESR1
SCHEMBL7082645 0.80 SHBG (0.62) STSESR1ESR2
SCHEMBL6633748 0.78 STS (0.44) STSCA1CA2CA9ESR1
SCHEMBL6633753 0.78 STS (0.44) STSCA1CA2CA9ESR1
Emate SCHEMBL6370815 0.77 STS (1.00) STSCA1CA2CA9ESR1

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-20030100544-A1 Inhibiting tubulin polymerization; treating prostate and breast cancer SCHERING AG (DE) 2003-05-29 US claimed
US-20030100544-A1 Inhibiting tubulin polymerization; treating prostate and breast cancer SCHERING AG (DE) 2003-05-29 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-20030100544-A1 Inhibiting tubulin polymerization; treating prostate and breast cancer TUBA1C, TUBB1, NR5A1 STS 399/4885CA1 2920/4885CA2 3298/4885

“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.