SCHEMBL5530903

SCHEMBL5530903

COc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n3Cc2ccc(-c3ccc(OC)nc3)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 1.00
PTGS1 P23219 3/20 0.91
ALOX5 P09917 1/20 0.80
LTC4S Q16873 1/20 0.80
CYP3A4 P08684 1/20 0.77
CYP2C9 P11712 1/20 0.77

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
SCHEMBL170252 0.95 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4SCYP3A4
SCHEMBL1722524 0.94 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4S
SCHEMBL170010 0.94 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4S
SCHEMBL5531012 0.93 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4S
SCHEMBL5530433 0.92 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4S
SCHEMBL20475070 0.92 ALOX5AP (0.85) ALOX5APPTGS1ALOX5LTC4S
SCHEMBL9535 0.92 ALOX5AP (1.00) ALOX5APPTGS1CYP3A4CYP2C9
SCHEMBL30585982 0.92 ALOX5AP (1.00) ALOX5APPTGS1CYP3A4CYP2C9
SCHEMBL2936036 0.91 ALOX5AP (0.99) ALOX5APPTGS1CYP3A4CYP2C9
SCHEMBL167864 0.90 ALOX5AP (1.00) ALOX5APPTGS1

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-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US claimed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885PTGS1 27/4885ALOX5 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.