SCHEMBL4825577

SCHEMBL4825577

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)C1CNCCO1)Cc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
NR1I2 O75469 2/20 0.36
GHSR Q92847 1/20 0.34
SCN9A Q15858 2/20 0.33
KCNH2 Q12809 1/20 0.31
SSTR4 P31391 2/20 0.30
REN P00797 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR2 P30874 1/20 0.30
SSTR3 P32745 1/20 0.30
SSTR5 P35346 1/20 0.30
KMO O15229 1/20 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
SCHEMBL5337210 0.91 PRKCA (0.41) PRKCAMMP12NR1I2GHSRSCN9A
SCHEMBL4829893 0.86 NR1I2 (0.53) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL394957 0.84 PRKCA (0.54) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL13936814 0.82 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL14253779 0.80 PRKCA (0.50) PRKCAMMP12NR1I2SCN9A
SCHEMBL4825585 0.80 PRKCA (0.50) PRKCAMMP12NR1I2SCN9A
SCHEMBL13936815 0.80 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL13936816 0.80 PRKCA (0.57) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL14253803 0.80 PRKCA (0.51) PRKCAMMP12NR1I2SCN9A
SCHEMBL14253800 0.80 PRKCA (0.51) PRKCAMMP12NR1I2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (2 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885NR1I2 1013/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885NR1I2 1013/4885

“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.