SCHEMBL9966483

SCHEMBL9966483

CS(=O)(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cn3)CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.42
ATR Q13535 6/20 0.42
GAA P10253 1/20 0.42
PRKDC P78527 1/20 0.41
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.37
TP53 P04637 1/20 0.37
IDO1 P14902 2/20 0.36
CYP2C9 P11712 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
SCHEMBL9966238 0.88 GAA (0.50) ALOX5APGAAALDH1A1IDO1CYP2C9
SCHEMBL9966342 0.82 ALOX5AP (0.56) ALOX5APGAAALDH1A1
SCHEMBL9966431 0.78 GAA (0.47) ALOX5APGAAALDH1A1TP53IDO1
SCHEMBL9966450 0.76 ALOX5AP (0.47) ALOX5APGAAALDH1A1IDO1CYP2C9
SCHEMBL14315175 0.74 HDAC1 (0.52) ALOX5APGAAIDO1CYP2C9
SCHEMBL14244005 0.74 ALOX5AP (0.51) ALOX5AP
SCHEMBL9943222 0.73 ALOX5AP (0.39) ALOX5APALDH1A1IDO1
SCHEMBL9966346 0.73 GAA (0.35) GAAALDH1A1TP53IDO1
SCHEMBL9966409 0.72 HDAC1 (0.56) ALOX5APGAAALDH1A1IDO1
SCHEMBL9966426 0.72 LMNA (0.49) GAAAKT1PIK3CAMTORALDH1A1

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 9 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
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

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 ALOX5AP 43/4885ATR 4648/4885GAA 932/4885

“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.