SCHEMBL3874583

SCHEMBL3874583

COc1cc2c(cc1O)CCC1C2CC[C@@]2(C)C1CC[C@@H]2OC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.62
CA9 Q16790 3/20 0.62
STS P08842 5/20 0.56
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A1 P04798 2/20 0.54
CYP1B1 Q16678 2/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP19A1 P11511 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
GMNN O75496 1/20 0.54
SHBG P04278 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL3873054 0.93 CA2 (0.65) CA2CA9STSCYP3A4CYP1A2
SCHEMBL3866385 0.93 CA2 (0.53) CA2CA9STSCYP3A4MEN1
SCHEMBL3871348 0.90 CA2 (0.62) CA2CA9STSCYP3A4MEN1
SCHEMBL3874580 0.86 CA2 (0.64) CA2CA9STSCYP3A4CYP1A2
SCHEMBL3871788 0.86 CA2 (0.55) CA2CA9STSCYP3A4MEN1
SCHEMBL3868077 0.85 CA2 (0.64) CA2CA9STSCYP3A4CYP1A2
SCHEMBL3866484 0.83 STS (0.54) CA2CA9STSCYP3A4MEN1
SCHEMBL3872710 0.83 CA2 (0.65) CA2CA9STSCYP3A4MEN1
SCHEMBL3869902 0.82 CA2 (0.66) CA2CA9STSCYP3A4CYP1A2
SCHEMBL3866409 0.80 CA2 (0.69) CA2CA9STSCYP3A4CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534780-B2 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-19 US claimed
US-20050288267-A1 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-29 US claimed
US-7534780-B2 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-19 US disclosed
US-20050288267-A1 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-29 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-20050288267-A1 Estradiol prodrugs CYP19A1, ESR1, HSD17B11 CA2 2551/4885CA9 1880/4885STS 104/4885

“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.