SCHEMBL4827005

SCHEMBL4827005

CC(=O)NC1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.53
MMP12 P39900 1/20 0.53
NR1I2 O75469 5/20 0.39
SCN9A Q15858 3/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CREBBP Q92793 5/20 0.37
CHRNA7 P36544 1/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
KMO O15229 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
SCHEMBL3942843 0.89 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL13940166 0.87 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACHRNA7
SCHEMBL3945379 0.86 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AMTNR1A
SCHEMBL13940397 0.86 NR1I2 (0.56) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL5476043 0.86 PRKCA (0.50) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL13940189 0.86 PRKCA (0.48) PRKCAMMP12NR1I2SCN9A
SCHEMBL13940155 0.86 PRKCA (0.48) PRKCAMMP12NR1I2SCN9A
SCHEMBL4020494 0.86 PRKCA (0.48) PRKCAMMP12NR1I2SCN9A
SCHEMBL4830061 0.85 PRKCA (0.55) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3567697 0.85 PRKCA (0.60) PRKCAMMP12NR1I2SCN9ACYP3A4

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 2 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-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 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-20060166964-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.