SCHEMBL87818

SCHEMBL87818

CCOC(=O)/C(=C\C1OC(C)O1)N1CC(CO)CC(c2nc(C(=O)OCC)c(O)c(=O)[nH]2)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.33
ERCC4 Q92889 2/20 0.33

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
SCHEMBL13691570 0.89 ERCC1 (0.33) ERCC1ERCC4
SCHEMBL62529 0.87 ERCC1 (0.35) ERCC1ERCC4
SCHEMBL51796 0.87 ERCC1 (0.35) ERCC1ERCC4
SCHEMBL51795 0.87 ERCC1 (0.35) ERCC1ERCC4
SCHEMBL27855191 0.77 ERCC1 (0.37) ERCC1ERCC4
SCHEMBL62403 0.74 ERCC1 (0.41) ERCC1ERCC4
SCHEMBL87342 0.74 ERCC1 (0.41) ERCC1ERCC4
SCHEMBL86983 0.74 ERCC1 (0.38) ERCC1ERCC4
SCHEMBL62609 0.74 ERCC1 (0.38) ERCC1ERCC4
SCHEMBL52120 0.66 LMNA (0.37) ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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 (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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG ERCC1 236/4885ERCC4 104/4885

“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.