SCHEMBL9936386

SCHEMBL9936386

COc1cncc(-c2ccc(C(C)(C(=O)O)C(C)C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
ALOX5AP P20292 1/20 0.53
MAP4K4 O95819 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 7/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 2/20 0.46
XDH P47989 1/20 0.44
CYP2C19 P33261 1/20 0.43
CYP17A1 P05093 1/20 0.43
PIK3CG P48736 3/20 0.43
CDK7 P50613 1/20 0.42
PIK3CA P42336 1/20 0.41
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL9966247 0.89 MKNK1 (0.56) MKNK1MKNK2ALOX5APMAP4K4SLC22A12
SCHEMBL10161778 0.81 MKNK1 (0.51) MKNK1MKNK2ALOX5APMAP4K4SLC22A12
SCHEMBL5317094 0.80 MAPT (0.49)
SCHEMBL9966245 0.79 MKNK1 (0.52) MKNK1MKNK2ALOX5APMAP4K4CYP11B1
SCHEMBL14295826 0.79 ALOX5AP (0.46) MKNK1MKNK2ALOX5APMAP4K4CYP11B1
SCHEMBL3000715 0.78 ALOX5AP (0.57) MKNK1MKNK2ALOX5APMAP4K4CYP11B1
SCHEMBL1623766 0.77 CYP11B1 (0.58) MKNK1MKNK2ALOX5APMAP4K4CYP11B1
SCHEMBL9966576 0.76 ALOX5AP (0.46) MKNK1MKNK2ALOX5APMAP4K4CYP11B1
SCHEMBL9936466 0.75 ALOX5AP (0.51) MKNK1MKNK2ALOX5APMAP4K4CYP11B1
SCHEMBL21960161 0.75 CYP11B1 (0.73) MKNK1MKNK2MAP4K4CYP11B1CYP11B2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
EP-2651930-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S MKNK1 4762/4885MKNK2 4696/4885ALOX5AP 43/4885

“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.