SCHEMBL10082380

SCHEMBL10082380

COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2CC2(C(=O)O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
SCN9A Q15858 7/20 0.45
NR1I2 O75469 5/20 0.43
CYP3A4 P08684 4/20 0.41
SCN5A Q14524 2/20 0.41
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5048195 0.94 KCNH2 (0.52) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL5048729 0.92 SCN9A (0.46) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL851831 0.91 NR1I2 (0.47) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL5049349 0.91 SCN9A (0.46) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL86128 0.90 SCN9A (0.56) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL84875 0.90 SCN9A (0.45) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL848226 0.90 KCNH2 (0.52) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL14070646 0.89 KCNH2 (0.51) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL5048310 0.89 SCN9A (0.44) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL14081198 0.89 KCNH2 (0.54) KCNH2SCN9ANR1I2CYP3A4SCN5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-7547690-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
US-20080227769-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 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-20120115847-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3808/4885SCN9A 4595/4885NR1I2 189/4885
US-20080227769-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, NR1H4 KCNH2 3045/4885SCN9A 3775/4885NR1I2 175/4885

“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.