SCHEMBL1060068

SCHEMBL1060068

CC(=O)NCc1cc(C(F)(F)F)ccc1-c1ccc(C)c(CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
PPARD Q03181 10/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PPARA Q07869 3/20 0.41
PPARG P37231 1/20 0.41
GCGR P47871 1/20 0.39
BDKRB1 P46663 1/20 0.38

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
SCHEMBL152748 0.81 PTGDR2 (0.55) RXRARXRBRXRGPTGDR2
SCHEMBL30120956 0.80 RXRA (0.57) RXRARXRBRXRGPPARDPTGDR2
SCHEMBL20575945 0.80 RXRA (0.57) RXRARXRBRXRGPPARDPTGDR2
SCHEMBL1054098 0.76 PTGDR2 (0.56) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1059280 0.76 PTGDR2 (0.56) RXRARXRBRXRGPTGDR2PSEN1
SCHEMBL14453580 0.75 EPHX2 (0.49) RXRARXRBRXRGPPARDPPARA
SCHEMBL1055326 0.73 PTGDR2 (0.75) PTGDR2
SCHEMBL13745395 0.72 PTGDR2 (0.66) PTGDR2
SCHEMBL15134863 0.72 PTGDR2 (0.52) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL9892653 0.71 PSEN1 (0.56) RXRARXRBRXRGPTGDR2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245022-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-11-03 EP claimed
WO-2009108720-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-09-03 WO claimed
US-8497381-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-07-30 US disclosed
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-01-27 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-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 RXRA 344/4885RXRB 341/4885RXRG 218/4885

“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.