Sugi Predict

Sugi Predict / Compounds / SCHEMBL1981016

SCHEMBL1981016

SCHEMBL1981016

CN(CCOCCN(C)S(N)(=O)=O)C(=O)COc1ccccc1-c1c(C2CCCCC2)c2ccc(C(=O)n3ccnc3)cc2n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.36
▸ PRKCA P17252 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ CYP3A4 P08684 5/20 0.34
▸ CYP2C19 P33261 5/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NR1I2 O75469 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CTSG P08311 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ HTR2A P28223 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
SCHEMBL1980588 0.94 SCN9A (0.36) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL1953999 0.89 PRKCA (0.45) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL12559273 0.88 PRKCA (0.38) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL1981576 0.87 SCN9A (0.40) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL12595728 0.86 PRKCA (0.34) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL1954720 0.82 PRKCA (0.46) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL1956164 0.81 SCN9A (0.41) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL1956905 0.77 PRKCA (0.39) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL12619890 0.75 NR1I2 (0.41) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL1954944 0.74 PRKCA (0.45) SCN9APRKCAMMP12CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4103/4885PRKCA 3816/4885MMP12 3986/4885

“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.