SCHEMBL19981517

SCHEMBL19981517

CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@@H]6C7CCC(C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.34
HPGDS O60760 3/20 0.31
TBK1 Q9UHD2 1/20 0.31
CHEK2 O96017 2/20 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
SCHEMBL19093147 1.00 PRCP (0.34) PRCPHPGDSTBK1CHEK2
SCHEMBL19186343 1.00 PRCP (0.34) PRCPHPGDSTBK1CHEK2
SCHEMBL19981456 1.00 PRCP (0.34) PRCPHPGDSTBK1CHEK2
SCHEMBL18993199 1.00 PRCP (0.34) PRCPHPGDSTBK1CHEK2
SCHEMBL19186314 1.00 PRCP (0.34) PRCPHPGDSTBK1CHEK2
SCHEMBL16541580 1.00 PRCP (0.34) PRCPHPGDSTBK1CHEK2
SCHEMBL19607443 1.00 PRCP (0.34) PRCPHPGDSTBK1CHEK2
SCHEMBL19186622 0.94 PRCP (0.32) PRCPHPGDSTBK1CHEK2
SCHEMBL15368147 0.92 PRCP (0.34) PRCPHPGDSTBK1CHEK2
SCHEMBL204130 0.92 PRCP (0.34) PRCPHPGDSTBK1CHEK2

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-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) 2018-03-22 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-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR POLI, SAMHD1, TYMP PRCP 750/4885HPGDS 692/4885TBK1 71/4885

“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.