SCHEMBL14730716

SCHEMBL14730716

CCC1(CC)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.39
TLR7 Q9NYK1 2/20 0.38
TLR8 Q9NR97 1/20 0.38
BRD4 O60885 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
DGAT2 Q96PD7 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
TLR9 Q9NR96 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14730715 0.88 ALK (0.47) ALKLMNAALDH1A1POLBRAB9A
SCHEMBL14730723 0.85 KDR (0.43) RAB9ATLR7TLR8NPC1TLR9
SCHEMBL14730769 0.85 RAB9A (0.46) ALKRAB9ATLR7TLR8NPC1
SCHEMBL14730840 0.84 ALK (0.45) ALKLMNAALDH1A1POLBRAB9A
SCHEMBL14730804 0.84 ALK (0.44) ALKLMNAALDH1A1POLBRAB9A
SCHEMBL14730752 0.83 ALK (0.47) ALKLMNAALDH1A1POLBRAB9A
SCHEMBL14730809 0.83 ALK (0.44) ALKLMNAALDH1A1POLBRAB9A
SCHEMBL14730724 0.82 ALK (0.48) ALKLMNAALDH1A1POLBRAB9A
SCHEMBL14730743 0.76 KDM5A (0.44) TLR7TLR8TLR9
SCHEMBL14731501 0.75 ALK (0.42) ALKLMNAALDH1A1POLBRAB9A

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 ALK 1631/4885LMNA 1026/4885ALDH1A1 1605/4885

“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.