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Sugi Predict / Compounds / SCHEMBL1983285

SCHEMBL1983285

SCHEMBL1983285

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(F)cc3OCC(=O)NCCCCCN(C)S(N)(=O)=O)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.40
▸ NR1I2 O75469 8/20 0.36
▸ CTSG P08311 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ SCN5A Q14524 1/20 0.32

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
SCHEMBL1981139 0.94 SCN9A (0.39) SCN9ANR1I2CTSGMAOADRD1
SCHEMBL1983368 0.93 SCN9A (0.40) SCN9ANR1I2CYP3A4
SCHEMBL1979133 0.89 SCN9A (0.41) SCN9ANR1I2CTSGMAOADRD1
SCHEMBL1956518 0.87 MAPT (0.37) SCN9ANR1I2CTSGMAOADRD1
SCHEMBL1981369 0.87 PRKCA (0.44) SCN9ANR1I2CTSGMAOADRD1
SCHEMBL1956164 0.83 SCN9A (0.41) SCN9ANR1I2CTSGMAOADRD1
SCHEMBL1956982 0.82 SCN9A (0.40) SCN9ANR1I2CTSGMAOADRD1
SCHEMBL13476031 0.82 CYP3A4 (0.35) SCN9ANR1I2CYP3A4
SCHEMBL1980564 0.81 PTGDR2 (0.46) SCN9ANR1I2CTSGMAOADRD1
SCHEMBL13476049 0.81 SCN9A (0.36) SCN9ANR1I2KCNH2CYP3A4

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 4103/4885NR1I2 204/4885CTSG 2213/4885

“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.