SCHEMBL8629445

SCHEMBL8629445

C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(OS(=O)(=O)O)ccc3[C@H]1CC2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 8/20 0.80
ABCC4 O15439 3/20 0.70
ABCC1 P33527 3/20 0.70
CYP2C9 P11712 1/20 0.70
SLCO1B1 Q9Y6L6 1/20 0.70
SHBG P04278 1/20 0.68
CYP3A4 P08684 1/20 0.64
KDM4E B2RXH2 3/20 0.57
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
ESR1 P03372 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
ESR2 Q92731 1/20 0.56
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
HSD17B1 P14061 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3384071 0.89 STS (1.00) STSSHBGCA1CA2CA9
SCHEMBL3384069 0.89 STS (1.00) STSSHBGCA1CA2CA9
SCHEMBL8214022 0.86 STS (0.76) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL2232239 0.85 STS (0.74) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL23645588 0.85 STS (0.74) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL9109474 0.85 STS (0.70) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL30751965 0.83 SHBG (0.69) STSABCC4ABCC1CYP2C9SLCO1B1
Estrone Sulfuric Acid SCHEMBL12920398 0.83 STS (1.00) STSABCC4ABCC1CYP2C9SLCO1B1
Estrone Sulfuric Acid SCHEMBL22846 0.83 STS (1.00) STSABCC4ABCC1CYP2C9SLCO1B1
Estrone Sulfuric Acid SCHEMBL29369653 0.83 STS (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230212-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER CFD RESEARCH CORPORATION 2021-07-29 US disclosed
WO-1998004579-A1 METHOD OF PRODUCING 3-SULFANATO-OXY-ESTRA-1,3,5(10)-TRIEN DERIVATES (II) SCHERING AG (DE) 1998-02-05 WO disclosed
WO-1998004579-A1 METHOD OF PRODUCING 3-SULFANATO-OXY-ESTRA-1,3,5(10)-TRIEN DERIVATES (II) SCHERING AG (DE) 1998-02-05 WO disclosed
WO-1998004579-A1 METHOD OF PRODUCING 3-SULFANATO-OXY-ESTRA-1,3,5(10)-TRIEN DERIVATES (II) SCHERING AG (DE) 1998-02-05 WO disclosed
WO-1998004578-A1 METHOD OF PRODUCING 3-SULFANATO-OXY-ESTRA-1,3,5(10)-TRIEN DERIVATES (I) SCHERING AG (DE) 1998-02-05 WO disclosed
WO-1998004578-A1 METHOD OF PRODUCING 3-SULFANATO-OXY-ESTRA-1,3,5(10)-TRIEN DERIVATES (I) SCHERING AG (DE) 1998-02-05 WO disclosed
WO-1998004578-A1 METHOD OF PRODUCING 3-SULFANATO-OXY-ESTRA-1,3,5(10)-TRIEN DERIVATES (I) SCHERING AG (DE) 1998-02-05 WO 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-20210230212-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER TEK, VHL, TIE1 STS 4051/4885ABCC4 1671/4885ABCC1 2568/4885

“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.