SCHEMBL10240694

SCHEMBL10240694

CC(C)(CO)n1cc(-c2nc(C3(c4ccc(Br)cc4)CCC3)no2)cn1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.77
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL10241340 0.87 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9
SCHEMBL877875 0.87 ALOX5AP (0.74) ALOX5APCYP2D6CYP2C9
SCHEMBL13835084 0.83 ALOX5AP (1.00) ALOX5AP
SCHEMBL10242484 0.82 ALOX5AP (0.77) ALOX5APCYP2D6CYP2C9
SCHEMBL10240730 0.82 ALOX5AP (0.73) ALOX5APCYP2D6CYP2C9
SCHEMBL10240449 0.81 ALOX5AP (0.68) ALOX5APCYP2D6CYP2C9
SCHEMBL10241784 0.80 ALOX5AP (0.72) ALOX5APCYP2D6CYP2C9
SCHEMBL10240704 0.78 ALOX5AP (0.56) ALOX5APCYP2D6CYP2C9
SCHEMBL10240420 0.77 ALOX5AP (0.72) ALOX5APCYP2D6CYP2C9
SCHEMBL10240719 0.77 ALOX5AP (0.77) ALOX5APCYP2D6CYP2C9

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-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 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-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 ALOX5AP 17/4885CYP2D6 245/4885CYP2C9 231/4885

“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.