SCHEMBL13623141

SCHEMBL13623141

COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(C)=O)n2Cc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.57
PTGES2 Q9H7Z7 2/20 0.55
ALOX5 P09917 8/20 0.55
CYP3A4 P08684 5/20 0.54
CYP2C9 P11712 5/20 0.54
PTGS1 P23219 1/20 0.54
MEN1 O00255 2/20 0.53
USP2 O75604 2/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
RECQL P46063 2/20 0.53
BLM P54132 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HSD17B10 Q99714 2/20 0.53

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
SCHEMBL1255386 0.89 PTGES2 (0.56) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL13623140 0.87 ALOX5AP (0.55) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL1395500 0.86 PTGES2 (0.53) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL23270814 0.84 ALOX5AP (0.73) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL9146239 0.84 ALOX5AP (0.79) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL30181605 0.84 ALOX5AP (0.79) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL30181492 0.84 ALOX5AP (0.73) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL9044184 0.83 PTGES2 (0.78) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL13415383 0.83 PTGES2 (0.67) ALOX5APPTGES2ALOX5CYP3A4CYP2C9
SCHEMBL12014950 0.81 ALOX5AP (0.58) ALOX5APPTGES2ALOX5CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772495-B2 5-lipoxygenase-activating protein inhibitor PANMIRA PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-20090291981-A1 5-Lipoxygenase-Activating Protein Inhibitor AMIRA PHARMACEUTICALS, INC. (US) 2009-11-26 US 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-20090291981-A1 5-Lipoxygenase-Activating Protein Inhibitor ALOX5, LTA4H, ALOX5AP ALOX5AP 3/4885PTGES2 42/4885ALOX5 1/4885

“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.