SCHEMBL418435

SCHEMBL418435

CC(C)(C)N(C[C@]1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CC[C@@H](CO[Si](C)(C)C(C)(C)C)C1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNE1 P15382 1/20 0.35
CCR1 P32246 1/20 0.35
KCNQ1 P51787 1/20 0.35
KCNH2 Q12809 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL416353 0.90 ERCC1 (0.42) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL3714331 0.86 ERCC1 (0.41) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL419314 0.85 ERCC1 (0.42) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL418436 0.81 ERCC1 (0.40) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL418434 0.81 ERCC1 (0.40) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL419656 0.76 ERCC1 (0.44) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL10143619 0.72 ERCC1 (0.41) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL421835 0.71 CYP2C9 (0.47) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL10144372 0.71 ERCC1 (0.44) ERCC1FEN1ERCC4CYP2C9MEN1
SCHEMBL416352 0.71 ERCC1 (0.42) ERCC1FEN1ERCC4CYP2C9MEN1

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 ERCC1 1084/4885FEN1 423/4885ERCC4 405/4885

“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.