SCHEMBL4101804

SCHEMBL4101804

CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)n2)n1C=CC(O)CC(O)CC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 15/20 0.71

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
SCHEMBL4101800 1.00 HMGCR (0.71) HMGCR
SCHEMBL13694349 1.00 HMGCR (0.71) HMGCR
SCHEMBL4114584 0.99 HMGCR (0.70) HMGCR
SCHEMBL4114568 0.99 HMGCR (0.70) HMGCR
SCHEMBL13694342 0.95 HMGCR (0.62) HMGCR
SCHEMBL14283455 0.94 HMGCR (0.71) HMGCR
SCHEMBL14283406 0.94 HMGCR (0.71) HMGCR
SCHEMBL4114574 0.93 HMGCR (0.61) HMGCR
SCHEMBL4103212 0.91 HMGCR (0.58) HMGCR
SCHEMBL13694351 0.91 HMGCR (0.58) HMGCR

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-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 US disclosed
EP-1948168-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE Numerate, Inc (US) 2008-07-30 EP disclosed
WO-2007051065-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. (US) 2007-05-03 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-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 HMGCR 1/4885

“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.