SCHEMBL10143672

SCHEMBL10143672

COC(=O)c1nc([C@]2(N(C)C(=O)OC(C)(C)C)CCC(CO)OC2)[nH]c(=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.33
RNASEH1 O60930 1/20 0.33
ERCC1 P07992 2/20 0.32
FEN1 P39748 2/20 0.32
ERCC4 Q92889 2/20 0.32

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
SCHEMBL420566 1.00 NAMPT (0.33) NAMPTRNASEH1ERCC1FEN1ERCC4
SCHEMBL420565 1.00 NAMPT (0.33) NAMPTRNASEH1ERCC1FEN1ERCC4
SCHEMBL10120976 0.88 ASGR1 (0.32) NAMPT
SCHEMBL417487 0.87 RNASEH1 (0.35) RNASEH1ERCC1FEN1ERCC4
SCHEMBL417488 0.87 RNASEH1 (0.35) RNASEH1ERCC1FEN1ERCC4
SCHEMBL417489 0.87 RNASEH1 (0.35) RNASEH1ERCC1FEN1ERCC4
SCHEMBL418381 0.86 RNASEH1 (0.41) NAMPTRNASEH1ERCC1FEN1ERCC4
SCHEMBL418380 0.86 RNASEH1 (0.41) NAMPTRNASEH1ERCC1FEN1ERCC4
SCHEMBL421827 0.79 RNASEH1 (0.32) RNASEH1ERCC1FEN1ERCC4
SCHEMBL421826 0.79 RNASEH1 (0.32) RNASEH1ERCC1FEN1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 NAMPT 1095/4885RNASEH1 315/4885ERCC1 1084/4885

“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.