SCHEMBL12620106

SCHEMBL12620106

COc1ccc2c(c1)C(C)=C(C(=O)N(C)CCCCN(C)S(N)(=O)=O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.42
KCNH2 Q12809 7/20 0.41
CYP3A4 P08684 3/20 0.41
SCN5A Q14524 2/20 0.41
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN9A Q15858 1/20 0.33

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
SCHEMBL12620094 0.93 NR1I2 (0.43) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL12620104 0.92 NR1I2 (0.40) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL12620086 0.85 NR1I2 (0.41) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL19316526 0.84 KCNH2 (0.44) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL12619928 0.82 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL1695209 0.81 NR1I2 (0.43) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL12620101 0.81 KCNH2 (0.39) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL12620131 0.80 NR1I2 (0.45) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL12620080 0.78 KCNH2 (0.39) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL12653510 0.77 NR1I2 (0.46) NR1I2KCNH2CYP3A4SCN5APRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310396-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2017-09-06 EP disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-8921355-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN R & D IRELAND (IE) 2014-12-30 US disclosed
US-8921355-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN R & D IRELAND (IE) 2014-12-30 US disclosed
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-05-05 US disclosed
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-05-05 US disclosed
WO-2010003658-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2010-01-14 WO 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-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, CCNI NR1I2 234/4885KCNH2 921/4885CYP3A4 91/4885
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors IDO1, HCCS, CCNI NR1I2 234/4885KCNH2 921/4885CYP3A4 91/4885

“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.