SCHEMBL1763685

SCHEMBL1763685

CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)c2ccc(OCc3cn4cnccc4n3)cc12

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 20/20 0.74
▸ CYP3A4 P08684 4/20 0.66
▸ CYP2C9 P11712 4/20 0.66
▸ PTGS1 P23219 3/20 0.65
▸ CYP2D6 P10635 1/20 0.58
▸ ALOX5 P09917 1/20 0.57

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
SCHEMBL1725869 0.91 ALOX5AP (0.75) ALOX5APCYP3A4CYP2C9PTGS1CYP2D6
SCHEMBL176155 0.86 ALOX5AP (0.84) ALOX5APCYP3A4CYP2C9PTGS1CYP2D6
SCHEMBL15412581 0.86 ALOX5AP (0.83) ALOX5APPTGS1
SCHEMBL1723339 0.86 ALOX5AP (0.85) ALOX5APCYP3A4CYP2C9PTGS1
SCHEMBL170170 0.85 ALOX5AP (1.00) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL15412583 0.85 ALOX5AP (0.74) ALOX5APCYP3A4CYP2C9PTGS1CYP2D6
SCHEMBL1723927 0.85 ALOX5AP (0.89) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL175975 0.84 ALOX5AP (0.80) ALOX5APCYP3A4CYP2C9PTGS1CYP2D6
SCHEMBL167607 0.84 ALOX5AP (0.80) ALOX5APCYP3A4CYP2C9PTGS1CYP2D6
SCHEMBL175527 0.84 ALOX5AP (0.82) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710081-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-04-29 — — US disclosed
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AUTOIMMUNE PHARMA LLC 2014-01-16 — — US disclosed
US-20110118315-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2011-05-19 — — 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 (2 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-20110118315-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885CYP3A4 912/4885CYP2C9 2125/4885
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LTA4H, ALOX5AP ALOX5AP 3/4885CYP3A4 1258/4885CYP2C9 2440/4885

“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.

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