SCHEMBL880938

SCHEMBL880938

COc1ccc2c(c1)C=C(c1ncccc1S(=O)(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.43
KMT2A Q03164 1/20 0.38
SCN9A Q15858 2/20 0.36
KCNH2 Q12809 6/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 2/20 0.35
SCN5A Q14524 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL881078 0.91 NR1I2 (0.57) NR1I2KMT2ASCN9AKCNH2CYP3A4
SCHEMBL10185713 0.87 KCNH2 (0.45) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL880960 0.87 NR1I2 (0.47) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL10186892 0.85 NR1I2 (0.43) NR1I2KMT2ASCN9AKCNH2PRKCA
SCHEMBL881067 0.83 PRKCA (0.41) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL881011 0.83 NR1I2 (0.40) NR1I2KCNH2PRKCAMMP12ALDH1A1
SCHEMBL881021 0.83 NR1I2 (0.40) NR1I2KCNH2PRKCAMMP12ALDH1A1
SCHEMBL881053 0.82 PRKCA (0.40) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL10185795 0.81 NR1I2 (0.39) NR1I2KCNH2PRKCAMMP12ALDH1A1
SCHEMBL881054 0.81 NR1I2 (0.39) NR1I2KCNH2PRKCAMMP12ALDH1A1

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 189/4885KMT2A 4456/4885SCN9A 4595/4885

“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.