SCHEMBL14730772

SCHEMBL14730772

CNS(=O)(=O)c1ccc(C(=O)OC)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL14730771 0.83 HCAR3 (0.54) MAPK1KDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL1021132 0.83 MAPK1 (0.59) MAPK1KDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL1713848 0.82 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL14730851 0.82 NNMT (0.56) KDM4EL3MBTL1ALDH1A1
SCHEMBL25216018 0.81 MAPK1 (0.56) MAPK1KDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL30516117 0.78 MAPK1 (0.53) MAPK1KDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL840039 0.75 MAPK1 (0.49) MAPK1KDM4EL3MBTL1ALDH1A1RAB9A
SCHEMBL31434911 0.75 MAPK1 (0.49) MAPK1KDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL25256850 0.75 MAPK1 (0.53) MAPK1KDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL10153945 0.74 CA1 (0.59) ALDH1A1CYP2C9POLBGAACA1

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 MAPK1 2053/4885KDM4E 4061/4885L3MBTL1 1618/4885

“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.