SCHEMBL430437

SCHEMBL430437

CC(C)(C)SCc1cc(NC(=O)C(C)(C)C)ccc1Cn1cc(Cc2nn[nH]n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
CXCR2 P25025 1/20 0.32
CCKBR P32239 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTNNB1 P35222 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPY2R P49146 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
SCHEMBL13354666 0.83 CYP3A4 (0.44) CYP3A4LMNATP53MAPTMEN1
SCHEMBL426454 0.82 CYP3A4 (0.54) CYP3A4LMNATP53MAPTMEN1
SCHEMBL428401 0.81 CYP3A4 (0.42) CYP3A4LMNATP53MAPTMEN1
SCHEMBL428313 0.79 CYP3A4 (0.44) CYP3A4LMNATP53MAPTMEN1
SCHEMBL427791 0.69 CYP3A4 (0.53) CYP3A4LMNATP53MAPTMEN1
SCHEMBL13354633 0.68 CYP3A4 (0.52) CYP3A4LMNATP53MAPTMEN1
SCHEMBL426271 0.68 CYP3A4 (0.52) CYP3A4LMNATP53MAPTMEN1
SCHEMBL429690 0.66 CYP3A4 (0.50) CYP3A4LMNATP53MAPTMEN1
SCHEMBL429691 0.65 CYP3A4 (0.49) CYP3A4LMNATP53MAPTMEN1
SCHEMBL10167756 0.63 CYP3A4 (0.52) CYP3A4LMNATP53MAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
WO-2010057118-A2 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-20 WO 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-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 514/4885CYSLTR2 17/4885CYSLTR1 21/4885

“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.