SCHEMBL14730840

SCHEMBL14730840

CC1(C)CC2(CC2)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 0.45
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DGAT2 Q96PD7 3/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14730809 0.96 ALK (0.44) ALKALDH1A1POLBLMNARAB9A
SCHEMBL14730715 0.93 ALK (0.47) ALKALDH1A1POLBLMNARAB9A
SCHEMBL14730804 0.87 ALK (0.44) ALKALDH1A1POLBLMNARAB9A
SCHEMBL14730769 0.86 RAB9A (0.46) ALKRAB9ANPC1GSK3BKCNH2
SCHEMBL14730749 0.84 KDR (0.44) RAB9ANPC1
SCHEMBL14730716 0.84 ALK (0.46) ALKALDH1A1POLBLMNARAB9A
SCHEMBL14730724 0.84 ALK (0.48) ALKALDH1A1POLBLMNARAB9A
SCHEMBL14730811 0.83 LMNA (0.45) ALKALDH1A1POLBLMNARAB9A
SCHEMBL14730752 0.81 ALK (0.47) ALKALDH1A1POLBLMNARAB9A
SCHEMBL14730704 0.81 KDR (0.43) RAB9ANPC1

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 1631/4885ALDH1A1 1605/4885POLB 884/4885

“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.