SCHEMBL3059618

SCHEMBL3059618

CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCc3ccc(C)cn3)ccc2n1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.64
CYP2C9 P11712 6/20 0.64
CYP3A4 P08684 5/20 0.64
PTGS1 P23219 7/20 0.63
ALOX5 P09917 2/20 0.63
LTC4S Q16873 1/20 0.63

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
SCHEMBL2486647 0.88 ALOX5AP (0.70) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL1193655 0.88 ALOX5AP (0.68) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL169316 0.86 PTGES2 (0.50) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL1394760 0.84 ALOX5AP (0.88) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL2488078 0.83 ALOX5AP (0.86) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL3060274 0.83 ALOX5AP (0.80) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL1722628 0.78 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL13886986 0.78 ALOX5AP (0.87) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL12014950 0.78 ALOX5AP (0.58) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
Fiboflapon SCHEMBL29379276 0.78 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4PTGS1ALOX5

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 3 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
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 ALOX5AP 5/4885CYP2C9 1470/4885CYP3A4 1011/4885

“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.