SCHEMBL2453755

SCHEMBL2453755

CCOc1cc2c(cc1OS(N)(=O)=O)CCC1C2CC[C@@]2(C)C1CC[C@@H]2O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.81
CA2 P00918 3/20 0.64
CA9 Q16790 3/20 0.64
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A1 P04798 2/20 0.61
CYP1B1 Q16678 2/20 0.61
MEN1 O00255 2/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
GMNN O75496 1/20 0.61
SHBG P04278 1/20 0.61

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
SCHEMBL2457836 1.00 STS (0.81) STSCA2CA9CYP1A2CYP3A4
SCHEMBL2457838 1.00 STS (0.81) STSCA2CA9CYP1A2CYP3A4
SCHEMBL2453754 1.00 STS (0.81) STSCA2CA9CYP1A2CYP3A4
SCHEMBL14070737 0.90 STS (0.72) STSCA2CA9
SCHEMBL2451744 0.90 STS (1.00) STSCA2CA9CYP1A2CYP3A4
SCHEMBL2452253 0.90 STS (1.00) STSCA2CA9CYP1A2CYP3A4
SCHEMBL2451742 0.90 STS (1.00) STSCA2CA9CYP1A2CYP3A4
SCHEMBL2452248 0.90 STS (1.00) STSCA2CA9CYP1A2CYP3A4
SCHEMBL7085806 0.89 STS (0.76) STSCA2CA9CYP1A2CYP3A4
SCHEMBL7079725 0.89 STS (0.76) STSCA2CA9CYP1A2CYP3A4

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-20030100544-A1 Inhibiting tubulin polymerization; treating prostate and breast cancer SCHERING AG (DE) 2003-05-29 US claimed
US-8026229-B2 Inhibiting tubulin polymerization; treating prostate and breast cancer STERIX LIMITED (GB) 2011-09-27 US disclosed
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 399/4885CA2 3298/4885CA9 3768/4885

“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.