SCHEMBL880960

SCHEMBL880960

COc1ccc2c(c1)C=C(c1ncccc1C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.47
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SCN9A Q15858 1/20 0.35
KCNH2 Q12809 5/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 1/20 0.34
CYP3A4 P08684 2/20 0.34
SCN5A Q14524 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL881021 0.95 NR1I2 (0.40) NR1I2PRKCAMMP12GAALMNA
SCHEMBL881011 0.95 NR1I2 (0.40) NR1I2PRKCAMMP12GAALMNA
SCHEMBL10185795 0.93 NR1I2 (0.39) NR1I2PRKCAMMP12GAALMNA
SCHEMBL881054 0.93 NR1I2 (0.39) NR1I2PRKCAMMP12GAALMNA
SCHEMBL10186661 0.92 NR1I2 (0.45) NR1I2GAALMNAALDH1A1SCN9A
SCHEMBL880940 0.89 NR1I2 (0.64) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL881001 0.87 NR1I2 (0.48) NR1I2PRKCAMMP12ALDH1A1SCN9A
SCHEMBL881053 0.87 PRKCA (0.40) NR1I2PRKCAMMP12SCN9AKCNH2
SCHEMBL880938 0.87 NR1I2 (0.43) NR1I2PRKCAMMP12ALDH1A1SCN9A
SCHEMBL881040 0.86 KCNH2 (0.45) NR1I2PRKCAMMP12SCN9AKCNH2

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
EP-2178878-B1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
WO-2009023487-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-19 WO disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 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-20090042860-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885PRKCA 2143/4885MMP12 1631/4885

“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.