SCHEMBL7083754

SCHEMBL7083754

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.49
ABCC4 O15439 3/20 0.47
ABCC1 P33527 2/20 0.47
CYP2C9 P11712 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ESR1 P03372 3/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
ESR2 Q92731 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL7083757 1.00 STS (0.49) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL7082866 0.84 STS (0.68) STSESR1CA1CA2CA9
SCHEMBL7082868 0.84 STS (0.68) STSESR1CA1CA2CA9
SCHEMBL5531382 0.79 STS (0.75) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL8622302 0.79 STS (0.75) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL8621864 0.79 ABCC4 (0.75) STSABCC4ABCC1CYP2C9KDM4E
SCHEMBL6633753 0.78 STS (0.44) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL6633748 0.78 STS (0.44) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL7082645 0.78 SHBG (0.62) STSCYP2C9ESR1ESR2SMN1; SMN2
SCHEMBL7148062 0.74 ABCC4 (0.55) STSABCC4ABCC1CYP2C9SLCO1B1

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 399/4885ABCC4 3743/4885ABCC1 1711/4885

“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.