SCHEMBL1979510

SCHEMBL1979510

COC(=O)COc1ccccc1-c1c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.43
CYP3A4 P08684 6/20 0.41
CYP2C19 P33261 6/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PLA2G1B P04054 2/20 0.39
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
HTR2A P28223 2/20 0.36
CTSG P08311 1/20 0.36
MAOA P21397 1/20 0.36
DRD1 P21728 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL1956510 0.90 PLA2G1B (0.38) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1956138 0.89 PRKCA (0.48) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1981341 0.85 SCN9A (0.46) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1983131 0.85 SCN9A (0.43) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL14748160 0.84 SCN9A (0.53) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1980728 0.83 SCN9A (0.42) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1980990 0.82 PTGDR2 (0.41) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1956161 0.81 HDAC1 (0.49) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL12595729 0.81 SCN9A (0.42) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1953244 0.79 SCN9A (0.40) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6

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 SCN9A 4103/4885CYP3A4 63/4885CYP2C19 282/4885

“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.