SCHEMBL14730841

SCHEMBL14730841

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)nc23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
SCN9A Q15858 7/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ALK Q9UM73 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL14730842 0.84 PARP1 (0.46) SCN9A
SCHEMBL14730699 0.76 KDM4E (0.35) L3MBTL1MAPTKDM4ETDP1
SCHEMBL14730737 0.76 PARP1 (0.53)
SCHEMBL14730840 0.75 ALK (0.45) L3MBTL1SMN1; SMN2GLAALDH1A1MAPT
SCHEMBL14730769 0.74 RAB9A (0.46) GSK3BKCNH2ALK
SCHEMBL14730843 0.74 KDM5A (0.38) ALDH1A1
SCHEMBL14730809 0.73 ALK (0.44) L3MBTL1SMN1; SMN2GLAALDH1A1MAPT
SCHEMBL14730716 0.73 ALK (0.46) L3MBTL1ALDH1A1MAPTPOLBALK
SCHEMBL14730715 0.73 ALK (0.47) L3MBTL1SMN1; SMN2GLAALDH1A1MAPT
SCHEMBL14730804 0.70 ALK (0.44) L3MBTL1ALDH1A1MAPTKDM4EPOLB

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 L3MBTL1 1618/4885CNR2 357/4885SMN1; SMN2 4756/4885

“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.