SCHEMBL3055664

SCHEMBL3055664

Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n3Cc2ccc(-c3ccc(CCl)cn3)cc2)nc1

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.93
CYP3A4 P08684 3/20 0.93
CYP2C9 P11712 3/20 0.93
PTGS1 P23219 7/20 0.82
ALOX5 P09917 1/20 0.74
LTC4S Q16873 1/20 0.74

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
SCHEMBL1722628 0.96 ALOX5AP (1.00) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL3067835 0.94 ALOX5AP (0.93) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL176032 0.92 ALOX5AP (1.00) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL170170 0.91 ALOX5AP (1.00) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL3062917 0.91 ALOX5AP (0.86) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL169386 0.90 ALOX5AP (1.00) ALOX5APCYP3A4CYP2C9PTGS1
SCHEMBL167756 0.90 ALOX5AP (0.89) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL170175 0.89 ALOX5AP (0.85) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL1255079 0.88 ALOX5AP (0.85) ALOX5APCYP3A4CYP2C9PTGS1ALOX5
SCHEMBL175962 0.88 ALOX5AP (0.83) ALOX5APCYP3A4CYP2C9PTGS1ALOX5

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 5/4885CYP3A4 1011/4885CYP2C9 1470/4885

“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.