SCHEMBL5529090

SCHEMBL5529090

CCC(CC)(C(=O)OC)C(Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1[nH]c2ccc(SCc3ccccn3)cc2c1SC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.36
ALOX5AP P20292 10/20 0.36
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MCHR1 Q99705 1/20 0.31
PTGS1 P23219 1/20 0.31
P2RX7 Q99572 1/20 0.31
RORC P51449 1/20 0.31
SRPK1 Q96SB4 1/20 0.30

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
SCHEMBL5518293 0.93 ALOX5AP (0.38) PPARDALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL3432631 0.86 PPARD (0.39) PPARDALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL5533159 0.84 ALOX5AP (0.41) PPARDALOX5APCYP2C9CYP3A4MCHR1
SCHEMBL3468110 0.84 ALOX5AP (0.39) PPARDALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL3468313 0.83 ALOX5AP (0.50) ALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL3468347 0.81 ALOX5AP (0.40) PPARDALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL5524947 0.77 ALOX5AP (0.44) PPARDALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL3434506 0.77 ALOX5AP (0.38) PPARDALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL5535144 0.76 ALOX5AP (0.48) ALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL5529086 0.76 ALOX5AP (0.55) ALOX5APCYP2C9CYP3A4PTGS1

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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 PPARD 1469/4885ALOX5AP 4/4885CYP2C9 2125/4885

“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.