SCHEMBL14730847

SCHEMBL14730847

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)N[C@H]4CC[C@H](N)CC4)cc23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 16/20 0.55
TLR9 Q9NR96 2/20 0.51
TLR7 Q9NYK1 2/20 0.51
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TLR8 Q9NR97 1/20 0.46

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
SCHEMBL14730799 1.00 SMYD3 (0.55) SMYD3TLR9TLR7RAB9ANPC1
SCHEMBL14730768 0.89 RAB9A (0.50) SMYD3TLR9TLR7RAB9ANPC1
SCHEMBL14730766 0.89 RAB9A (0.47) SMYD3TLR9TLR7RAB9ANPC1
SCHEMBL14730769 0.87 RAB9A (0.46) SMYD3TLR9TLR7RAB9ANPC1
SCHEMBL14730798 0.87 RAB9A (0.44) SMYD3TLR9TLR7RAB9ANPC1
SCHEMBL14730848 0.87 RAB9A (0.45) SMYD3TLR9TLR7RAB9ANPC1
SCHEMBL14730796 0.86 KDR (0.46) SMYD3TLR7RAB9ANPC1TLR8
SCHEMBL14730722 0.86 KDR (0.46) SMYD3TLR7RAB9ANPC1TLR8
SCHEMBL14730764 0.85 RAB9A (0.49) SMYD3TLR9TLR7RAB9ANPC1
SCHEMBL16248395 0.84 RAB9A (0.47) TLR9TLR7RAB9ANPC1TLR8

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-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 SMYD3 4127/4885TLR9 3787/4885TLR7 1107/4885

“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.