SCHEMBL13447685

SCHEMBL13447685

CNC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(C(C)C)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.81
ALOX5AP P20292 8/20 0.81
PTGES2 Q9H7Z7 8/20 0.81
PTGES O14684 5/20 0.81
MEN1 O00255 3/20 0.81
USP2 O75604 3/20 0.81
TP53 P04637 3/20 0.81
CYP1A2 P05177 3/20 0.81
POLB P06746 3/20 0.81
CYP3A4 P08684 3/20 0.81
MAPT P10636 3/20 0.81
CYP2C9 P11712 3/20 0.81
HPGD P15428 3/20 0.81
ALOX15 P16050 3/20 0.81
MAPK1 P28482 3/20 0.81
RECQL P46063 3/20 0.81
BLM P54132 3/20 0.81
KMT2A Q03164 3/20 0.81
NPSR1 Q6W5P4 3/20 0.81
HSD17B10 Q99714 3/20 0.81

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
SCHEMBL29351963 0.90 PTGES2 (1.00) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL503001 0.90 PTGES2 (1.00) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL1193211 0.90 ALOX5 (0.85) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL9670560 0.89 ALOX5 (0.79) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL170216 0.89 ALOX5 (0.76) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL9457522 0.89 PTGES2 (1.00) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL9457520 0.89 ALOX5 (0.77) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL16857038 0.88 ALOX5 (1.00) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL1193441 0.87 ALOX5 (0.72) ALOX5ALOX5APPTGES2PTGESMEN1
SCHEMBL9187373 0.86 ALOX5 (0.75) ALOX5ALOX5APPTGES2PTGESMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068301-A1 COMPOSITIONS AND TREATMENTS COMPRISING 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITORS AND NITRIC OXIDE MODULATORS PANMIRA PHARMACEUTICALS, LLC 2010-03-18 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-20100068301-A1 COMPOSITIONS AND TREATMENTS COMPRISING 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITORS AND NITRIC OXIDE MODULATORS ALOX5, ALOX15B, PTGIS ALOX5 1/4885ALOX5AP 5/4885PTGES2 29/4885

“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.