SCHEMBL1922579

SCHEMBL1922579

CC(C)(C)NC(=O)c1ccc(-c2cncc(CC(=O)O)c2)c(CN(Cc2ccccc2)C(=O)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SHMT1 P34896 1/20 0.39
SNCA P37840 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
RIPK2 O43353 1/20 0.37
TSHR P16473 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
SCHEMBL1922570 0.91 PTGDR2 (0.42) PTGDR2MEN1KMT2ALPAR1LPAR5
SCHEMBL1922764 0.91 ALDH1A1 (0.41) PTGDR2MEN1KMT2ASHMT1SNCA
SCHEMBL1922879 0.88 PTGDR2 (0.43) PTGDR2MEN1KMT2A
SCHEMBL16501872 0.84 MEN1 (0.46) PTGDR2MEN1KMT2ALPAR1LPAR5
SCHEMBL13428069 0.82 MEN1 (0.40) PTGDR2MEN1KMT2ALPAR1LPAR5
SCHEMBL1922427 0.82 PTGDR2 (0.53) PTGDR2
SCHEMBL13428171 0.81 TSHR (0.44) PTGDR2MEN1KMT2ALPAR1LPAR5
SCHEMBL1922333 0.81 ALDH1A1 (0.42) PTGDR2MEN1KMT2ALPAR1LPAR5
SCHEMBL1922504 0.80 MEN1 (0.49) PTGDR2MEN1KMT2ASNCALPAR1
SCHEMBL1922921 0.80 MEN1 (0.43) PTGDR2MEN1KMT2ASNCATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 US claimed
CN-102164894-A Heteroaryl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2011-08-24 CN claimed
EP-2328869-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-06-08 EP claimed
WO-2010037054-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO claimed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 US claimed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 US disclosed
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 US disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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 (2 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-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885MEN1 4812/4885KMT2A 4268/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885MEN1 4828/4885KMT2A 4142/4885

“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.