SCHEMBL3390042

SCHEMBL3390042

CCOC(=O)Cc1ccc(OC)c(-c2nc3ccccc3cc2CN(CC)C(=O)COC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PTGDR2 Q9Y5Y4 13/20 0.45
PTGDR Q13258 4/20 0.40
TBXA2R P21731 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
PTGIR P43119 2/20 0.40
DHFR P00374 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL3390376 0.92 PTGDR2 (0.46) SMN1; SMN2PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3390692 0.91 PTGDR2 (0.53) SMN1; SMN2PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3386649 0.87 PTGDR2 (0.59) SMN1; SMN2PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3388917 0.87 PTGDR2 (0.46) SMN1; SMN2PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3384276 0.87 PTGDR2 (0.43) SMN1; SMN2PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3386640 0.82 PTGDR2 (0.56) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL3389809 0.81 PTGDR2 (0.46) SMN1; SMN2PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3390068 0.81 PKM (0.40) SMN1; SMN2PTGDR2NPC1PKMNFKB1
SCHEMBL3389949 0.78 PTGDR2 (0.52) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL3388168 0.78 PTGDR2 (0.71) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 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-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SMN1; SMN2 4740/4885PTGDR2 2/4885PTGDR 1/4885

“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.