SCHEMBL3057395

SCHEMBL3057395

CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccccn5)ccc43)cc2)cn1.[Na]

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.87
CYP2C9 P11712 5/20 0.83
PTGS1 P23219 3/20 0.82
ALOX5 P09917 2/20 0.82
LTC4S Q16873 1/20 0.82
CYP3A4 P08684 4/20 0.80
CYP2D6 P10635 2/20 0.80

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
SCHEMBL170294 0.99 ALOX5AP (0.88) ALOX5APCYP2C9PTGS1ALOX5LTC4S
SCHEMBL3057383 0.99 ALOX5AP (0.87) ALOX5APCYP2C9PTGS1ALOX5LTC4S
SCHEMBL30585982 0.93 ALOX5AP (1.00) ALOX5APCYP2C9PTGS1CYP3A4CYP2D6
SCHEMBL9535 0.93 ALOX5AP (1.00) ALOX5APCYP2C9PTGS1CYP3A4CYP2D6
SCHEMBL3057387 0.93 ALOX5AP (0.77) ALOX5APCYP2C9PTGS1ALOX5LTC4S
SCHEMBL2936036 0.93 ALOX5AP (0.99) ALOX5APCYP2C9PTGS1CYP3A4CYP2D6
Fiboflapon SCHEMBL29504643 0.91 ALOX5AP (0.99) ALOX5APCYP2C9PTGS1ALOX5LTC4S
SCHEMBL1722957 0.91 ALOX5AP (0.89) ALOX5APCYP2C9PTGS1ALOX5CYP3A4
SCHEMBL176727 0.91 ALOX5AP (1.00) ALOX5APCYP2C9PTGS1ALOX5CYP3A4
SCHEMBL175603 0.91 ALOX5AP (0.89) ALOX5APCYP2C9PTGS1ALOX5LTC4S

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 ALOX5AP 5/4885CYP2C9 1470/4885PTGS1 9/4885

“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.