Sugi Predict

Sugi Predict / Compounds / SCHEMBL1983368

SCHEMBL1983368

SCHEMBL1983368

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3OCC(=O)NCCCCCN(C)S(N)(=O)=O)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.40
▸ PRKCA P17252 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ NR1I2 O75469 2/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL1981369 0.94 PRKCA (0.44) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL1983285 0.93 SCN9A (0.40) SCN9ANR1I2CYP3A4
SCHEMBL1956164 0.90 SCN9A (0.41) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL13476031 0.89 CYP3A4 (0.35) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL1953244 0.88 SCN9A (0.40) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL13476049 0.88 SCN9A (0.36) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL1955925 0.88 KMT2A (0.36) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL13475981 0.87 SCN9A (0.35) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL14735588 0.87 SCN9A (0.41) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL1981139 0.87 SCN9A (0.39) SCN9APRKCAMMP12NR1I2CYP3A4

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 6 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
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.