SCHEMBL4237897

SCHEMBL4237897

COc1nc(NCCN(C(=O)OC(C)(C)C)C(C)C)nc(OC)c1NC(=O)c1csc(Oc2cc(OCC(C)C)ccc2C)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.35
ACACB O00763 3/20 0.32
MAPK1 P28482 1/20 0.30

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
SCHEMBL4233337 0.94 ABCB1 (0.35) ABCB1MAPK1
SCHEMBL4235987 0.94 ABCB1 (0.40) ABCB1MAPK1
SCHEMBL4232839 0.93 ABCB1 (0.34) ABCB1ACACB
SCHEMBL4233287 0.93 ABCB1 (0.36) ABCB1
SCHEMBL4231680 0.92 ACACB (0.33) ACACBMAPK1
SCHEMBL4564449 0.89 AAK1 (0.32) ABCB1
SCHEMBL4237409 0.86 MAPT (0.32) ACACBMAPK1
SCHEMBL4236000 0.85 ACACB (0.35) ABCB1ACACBMAPK1
SCHEMBL4229017 0.85 ABCB1 (0.34) ABCB1MAPK1
SCHEMBL4236245 0.84 ABCB1 (0.31) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR ABCB1 4102/4885ACACB 2896/4885MAPK1 2021/4885

“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.