SCHEMBL4825604

SCHEMBL4825604

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3N)n(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CFTR P13569 1/20 0.35
CNR2 P34972 1/20 0.35
SCN9A Q15858 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL3095427 0.89 PRKCA (0.38) PRKCAMMP12KDM4EALDH1A1NPSR1
SCHEMBL394368 0.88 CNR2 (0.39) PRKCAMMP12KDM4EALDH1A1NPSR1
SCHEMBL923678 0.88 PRKCA (0.36) PRKCAMMP12KDM4EALDH1A1NPSR1
SCHEMBL27693541 0.85 PSEN1 (0.37) PRKCAMMP12KDM4EALDH1A1HPGD
SCHEMBL3575525 0.84 PRKCA (0.37) PRKCAMMP12KDM4ENPSR1NPC1
SCHEMBL3575527 0.84 PRKCA (0.37) PRKCAMMP12KDM4ENPSR1NPC1
SCHEMBL3571468 0.84 FABP4 (0.41) PRKCAMMP12KDM4EALDH1A1NPSR1
SCHEMBL3084086 0.83 PRKCA (0.41) PRKCAMMP12KDM4EALDH1A1NPSR1
SCHEMBL2905366 0.83 MAPT (0.41) KDM4EALDH1A1NPSR1HPGDCYP3A4
SCHEMBL3091678 0.83 ALDH1A1 (0.35) PRKCAMMP12KDM4EALDH1A1NPSR1

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 4 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
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

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 3512/4885KDM4E 2251/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885KDM4E 2251/4885

“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.