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SCHEMBL428313

SCHEMBL428313

CCOC(=O)Cc1cnn(Cc2ccc(NC(=O)C(C)(C)C)cc2CSC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GNRHR P30968 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ TAS2R8 Q9NYW2 1/20 0.31
▸ AR P10275 1/20 0.31

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
SCHEMBL426454 0.88 CYP3A4 (0.54) CYP3A4MAPTLMNASMN1; SMN2TP53
SCHEMBL13354666 0.85 CYP3A4 (0.44) CYP3A4MAPTLMNASMN1; SMN2TP53
SCHEMBL428401 0.83 CYP3A4 (0.42) CYP3A4MAPTLMNASMN1; SMN2TP53
SCHEMBL430437 0.79 CYP3A4 (0.39) CYP3A4MAPTLMNASMN1; SMN2TP53
SCHEMBL2280965 0.76 CYP3A4 (0.60) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL425162 0.74 CYP3A4 (0.42) CYP3A4MAPTLMNASMN1; SMN2TP53
SCHEMBL349965 0.73 CYP3A4 (0.80) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL349715 0.73 CYP3A4 (0.65) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL13354633 0.72 CYP3A4 (0.52) CYP3A4MAPTLMNASMN1; SMN2TP53
SCHEMBL430431 0.71 CYP3A4 (0.50) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1

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 7 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-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
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 514/4885MAPT 4863/4885LMNA 2485/4885

“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.