SCHEMBL10186669

SCHEMBL10186669

COc1ccc2c(c1)C=C(c1ccccc1NC(=O)C1CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NR1I2 O75469 6/20 0.40
KCNH2 Q12809 6/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SCN5A Q14524 1/20 0.37

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
SCHEMBL881075 0.89 KCNH2 (0.52) ABCG2ALDH1A1MEN1KMT2ALMNA
SCHEMBL881076 0.86 PRKCA (0.45) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL10185755 0.84 PRKCA (0.44) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL881007 0.83 PRKCA (0.42) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL10185770 0.83 NR1I2 (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL880963 0.83 PRKCA (0.43) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL10186128 0.83 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL10186892 0.82 NR1I2 (0.43) PRKCAMMP12KMT2ANR1I2KCNH2
SCHEMBL10186009 0.82 PRKCA (0.41) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL881061 0.82 PRKCA (0.42) PRKCAMMP12NR1I2KCNH2CYP3A4

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 PRKCA 2143/4885MMP12 1631/4885ABCG2 434/4885

“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.