SCHEMBL3369014

SCHEMBL3369014

CC(=O)N(Cc1ccc(C(F)(F)F)nc1)Cc1cc(C(F)(F)F)ccc1-c1cncc(CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.47
PTGDR2 Q9Y5Y4 16/20 0.43
TBXA2R P21731 4/20 0.43
PTGDR Q13258 4/20 0.43
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
PTGIR P43119 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL16501952 0.91 GPBAR1 (0.43) GPBAR1PTGDR2TBXA2RPTGDRPSEN1
SCHEMBL16509337 0.90 GPBAR1 (0.46) GPBAR1PTGDR2TBXA2RPTGDRPSEN1
SCHEMBL13428248 0.89 GPBAR1 (0.42) GPBAR1PTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL3364968 0.88 PTGDR2 (0.51) PTGDR2
SCHEMBL1923681 0.88 GPBAR1 (0.56) GPBAR1PTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL13428498 0.83 GPBAR1 (0.51) GPBAR1PTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL3370538 0.83 GPBAR1 (0.44) GPBAR1PTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL13426387 0.82 PTGDR2 (0.55) GPBAR1PTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL16501950 0.81 GPBAR1 (0.39) GPBAR1
SCHEMBL13428473 0.80 PTGDR2 (0.53) PTGDR2

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
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO 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 (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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GPBAR1 32/4885PTGDR2 2/4885TBXA2R 6/4885

“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.