SCHEMBL9966366

SCHEMBL9966366

COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.46
CD274 Q9NZQ7 1/20 0.40
POLB P06746 2/20 0.38
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 4/20 0.38
HDAC1 Q13547 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CTPS1 P17812 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
WNT3A P56704 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
SCHEMBL9966458 0.89 GSK3B (0.46) MAP4K4POLBHDAC1CYP2C9CYP2C19
SCHEMBL14295962 0.88 MAP4K4 (0.50) MAP4K4HDAC1CYP2C9ALDH1A1CTPS1
SCHEMBL9966355 0.86 POLB (0.43) MAP4K4CD274POLBPIK3CAHDAC1
SCHEMBL9936397 0.84 MAP4K4 (0.47) MAP4K4KCNH2HDAC1CYP2C9CTPS1
SCHEMBL9940268 0.83 MAP4K4 (0.44) MAP4K4POLBHDAC1ALDH1A1CTPS1
SCHEMBL9966373 0.80 CD274 (0.42) MAP4K4CD274POLBHDAC1MKNK2
SCHEMBL9936451 0.77 IDO1 (0.45) HDAC1ALDH1A1MKNK1MKNK2WNT3A
SCHEMBL9966280 0.77 POLB (0.50) POLBPIK3CAHDAC1CYP2C9CYP2C19
SCHEMBL9966360 0.77 GSK3B (0.50) MAP4K4POLBHDAC1CYP2C9CYP2C19
SCHEMBL17210437 0.75 MAP4K4 (0.39) MAP4K4CD274POLBPIK3CAKCNH2

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 6 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
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-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

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 MAP4K4 3244/4885CD274 4635/4885POLB 1304/4885

“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.