SCHEMBL1981129

SCHEMBL1981129

CN(CCCCN(C)S(N)(=O)=O)C(=O)COc1ccccc1-c1c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc2n1C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
NR1I2 O75469 6/20 0.34
CYP3A4 P08684 4/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
SCN9A Q15858 1/20 0.31
KCNH2 Q12809 4/20 0.31
SCN5A Q14524 2/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL1954944 0.91 PRKCA (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL1956589 0.90 PRKCA (0.36) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL1954406 0.90 PRKCA (0.37) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL1956164 0.85 SCN9A (0.41) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL1980990 0.83 PTGDR2 (0.41) PRKCAMMP12CYP3A4CYP2C9CYP2C19
SCHEMBL1954720 0.83 PRKCA (0.46) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL1956510 0.82 PLA2G1B (0.38) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL1981576 0.78 SCN9A (0.40) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL1980588 0.78 SCN9A (0.36) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL1980568 0.78 PRKCA (0.39) PRKCAMMP12NR1I2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331554-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN R & D IRELAND (IE) 2013-03-06 EP disclosed
EP-2331554-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN R & D IRELAND (IE) 2013-03-06 EP disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
WO-2010018233-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2010-02-18 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 (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-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, IDO2, ZC3HAV1 PRKCA 3816/4885MMP12 3986/4885NR1I2 204/4885

“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.