SCHEMBL1106706

SCHEMBL1106706

COc1ccc2c(c1)C(n1ccnc1)C(C)(C)OC2=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
CYP19A1 P11511 10/20 0.42
CYP11B2 P19099 5/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CYP11B1 P15538 4/20 0.36
IDO1 P14902 2/20 0.35

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
SCHEMBL1098958 1.00 PTPN1 (0.44) PTPN1CYP19A1CYP11B2CA1CA2
SCHEMBL1096612 0.84 CYP19A1 (0.39) CYP19A1CYP11B2CA1CA2CA7
SCHEMBL1096610 0.84 CYP19A1 (0.39) CYP19A1CYP11B2CA1CA2CA7
SCHEMBL1098477 0.82 CYP19A1 (0.50) CYP19A1CYP11B2IDO1
SCHEMBL1097189 0.82 CYP19A1 (0.50) CYP19A1CYP11B2IDO1
SCHEMBL5131315 0.81 CYP11B2 (0.35) CYP19A1CYP11B2
SCHEMBL5131309 0.81 CYP11B2 (0.35) CYP19A1CYP11B2
SCHEMBL1097094 0.78 IDO1 (0.39) CYP19A1CYP11B2CYP11B1IDO1
SCHEMBL1097090 0.78 IDO1 (0.39) CYP19A1CYP11B2CYP11B1IDO1
SCHEMBL1098046 0.77 CYP19A1 (0.43) CYP19A1CYP11B2CA1CA2CA7

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-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 PTPN1 2301/4885CYP19A1 166/4885CYP11B2 28/4885

“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.