SCHEMBL3866484

SCHEMBL3866484

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)CCC1C2CC[C@@]2(C)C1CC[C@@H]2OC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.54
CYP3A4 P08684 3/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
ESR1 P03372 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA2 P00918 12/20 0.50
CA1 P00915 2/20 0.49
CA9 Q16790 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALOX15 P16050 2/20 0.49
MAPK1 P28482 2/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.49
BRCA1 P38398 1/20 0.49
RECQL P46063 1/20 0.49
ABCC4 O15439 1/20 0.47

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
SCHEMBL3867766 0.94 STS (0.56) STSCYP3A4MAPTTP53ESR1
SCHEMBL3871348 0.89 CA2 (0.62) STSCYP3A4MAPTTP53ESR1
SCHEMBL3864711 0.89 CA2 (0.56) STSCYP3A4MAPTTP53ESR1
SCHEMBL3866231 0.89 CA2 (0.56) STSCYP3A4MAPTTP53ESR1
SCHEMBL3866383 0.87 STS (0.56) STSCYP3A4MAPTTP53ESR1
SCHEMBL3865655 0.84 CA2 (0.64) STSCYP3A4MAPTTP53ESR1
SCHEMBL5149270 0.83 STS (0.55) STSCYP3A4MAPTTP53ESR1
SCHEMBL3866820 0.83 ESR1 (0.56) STSCYP3A4MAPTTP53ESR1
SCHEMBL3874583 0.83 CA2 (0.62) STSCYP3A4MAPTTP53ESR1
SCHEMBL3867778 0.83 LMNA (0.62) STSCYP3A4MAPTESR1SMN1; SMN2

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-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 STS 104/4885CYP3A4 23/4885MAPT 3210/4885

“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.