SCHEMBL3054482

SCHEMBL3054482

CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(-c2ccc(OC)nn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
PTGS1 P23219 1/20 0.53
PTGES2 Q9H7Z7 1/20 0.51

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
SCHEMBL169236 0.89 ALOX5AP (0.66) ALOX5APPTGS1
SCHEMBL1253718 0.85 ALOX5AP (0.68) ALOX5APCYP2C9PTGS1
SCHEMBL12014953 0.85 PTGES2 (0.57) ALOX5APCYP3A4CYP2C9PTGS1PTGES2
SCHEMBL167199 0.84 PTGES2 (0.66) ALOX5APCYP3A4CYP2C9PTGES2
SCHEMBL13886900 0.84 ALOX5AP (0.65) ALOX5APCYP3A4CYP2C9PTGS1
SCHEMBL176187 0.84 PTGES2 (0.56) ALOX5APCYP3A4CYP2C9PTGS1PTGES2
SCHEMBL10264786 0.84 PTGES2 (0.56) ALOX5APCYP3A4CYP2C9PTGS1PTGES2
SCHEMBL13415379 0.82 ALOX5AP (0.68) ALOX5APPTGS1
SCHEMBL1193618 0.81 ALOX5AP (0.67) ALOX5APCYP3A4CYP2C9PTGS1
SCHEMBL1193620 0.81 ALOX5AP (0.67) ALOX5APCYP3A4CYP2C9PTGS1

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 4 patents. 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
US-20100068301-A1 COMPOSITIONS AND TREATMENTS COMPRISING 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITORS AND NITRIC OXIDE MODULATORS PANMIRA PHARMACEUTICALS, LLC 2010-03-18 US disclosed
EP-2086531-A1 COMPOSITIONS AND TREATMENTS COMPRISING 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITORS AND NITRIC OXIDE MODULATORS Amira Pharmaceuticals, Inc. (US) 2009-08-12 EP disclosed
WO-2008067566-A1 COMPOSITIONS AND TREATMENTS COMPRISING 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITORS AND NITRIC OXIDE MODULATORS AMIRA PHARMACEUTICALS, INC. (US) 2008-06-05 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-20100068301-A1 COMPOSITIONS AND TREATMENTS COMPRISING 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITORS AND NITRIC OXIDE MODULATORS ALOX5, ALOX15B, PTGIS ALOX5AP 5/4885CYP3A4 1011/4885CYP2C9 1470/4885

“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.