SCHEMBL1980568

SCHEMBL1980568

CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3O)n(C3CCCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 4/20 0.35
OPRD1 P41143 4/20 0.35
OGFRL1 Q5TC84 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
NR1I2 O75469 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2B Q13554 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SCN9A Q15858 3/20 0.34

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
SCHEMBL14735729 0.91 PRKCA (0.39) PRKCAMMP12ALDH1A1OPRM1OPRD1
SCHEMBL1980728 0.89 SCN9A (0.42) PRKCAMMP12CYP3A4CYP2C19NR1I2
SCHEMBL1980990 0.85 PTGDR2 (0.41) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL1956565 0.85 PRKCA (0.48) PRKCAMMP12ALDH1A1MEN1KMT2A
SCHEMBL1956510 0.84 PLA2G1B (0.38) PRKCAMMP12ALDH1A1OPRM1OPRD1
SCHEMBL1981685 0.82 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL1980881 0.78 SCN9A (0.48) PRKCAMMP12ALDH1A1CYP3A4CYP2C19
SCHEMBL1981129 0.78 PRKCA (0.37) PRKCAMMP12CYP3A4CYP2C19NR1I2
SCHEMBL1954406 0.77 PRKCA (0.37) PRKCAMMP12ALDH1A1OPRM1OPRD1
SCHEMBL752222 0.74 NR1I2 (0.54) PRKCAMMP12ALDH1A1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102124012-B Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARM LTD 2014-07-02 CN disclosed
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
CN-102124012-A Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARM LTD 2011-07-13 CN 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 3986/4885ALDH1A1 1544/4885

“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.