SCHEMBL12908856

SCHEMBL12908856

CC(C)(C#N)c1cc(COc2ccc(OS(N)(=O)=O)cc2)cc(Cn2cncn2)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.78
ESR1 P03372 1/20 0.76
UGT1A4 P22310 1/20 0.60
PDE4D Q08499 1/20 0.60
STS P08842 5/20 0.60

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
SCHEMBL13590058 0.89 CYP19A1 (0.62) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL307248 0.88 CYP19A1 (1.00) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL2964891 0.87 CYP19A1 (0.72) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL12908862 0.86 ESR1 (1.00) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL12908977 0.86 CYP19A1 (0.67) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL2973625 0.86 CYP19A1 (1.00) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL2973622 0.86 CYP19A1 (1.00) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL936175 0.85 CYP19A1 (0.67) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL12908981 0.85 CYP19A1 (0.58) CYP19A1ESR1UGT1A4PDE4DSTS
SCHEMBL12944637 0.85 CYP19A1 (0.65) CYP19A1ESR1UGT1A4PDE4DSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
EP-1753732-B1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LTD (GB) 2009-12-02 EP disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 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 (2 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-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 CYP19A1 1/4885ESR1 14/4885UGT1A4 270/4885
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 CYP19A1 1/4885ESR1 14/4885UGT1A4 270/4885

“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.