SCHEMBL170547

SCHEMBL170547

CC(=O)Oc1cccc(-c2ccc(C(F)(F)F)cc2CNCCC(=O)OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.45
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
MCL1 Q07820 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
S1PR1 P21453 2/20 0.38
DGAT2 Q96PD7 2/20 0.38
MAPK14 Q16539 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGIR P43119 1/20 0.37

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
SCHEMBL139023 0.87 PTGDR2 (0.51) PTGDR2MGLLKDM4EMEN1KMT2A
SCHEMBL138776 0.86 PTGDR2 (0.55) PTGDR2MGLLPPARGPPARARXRA
SCHEMBL153415 0.81 PTGDR2 (0.47) PTGDR2MGLLPPARGPPARAS1PR1
SCHEMBL154156 0.81 PTGDR2 (0.49) PTGDR2MGLLPPARGPPARAS1PR1
SCHEMBL150670 0.81 PTGDR2 (0.49) PTGDR2MGLLKDM4EMEN1KMT2A
SCHEMBL153835 0.81 PTGDR2 (0.49) PTGDR2MGLLPPARGPPARAS1PR1
SCHEMBL155537 0.80 PTGDR2 (0.52) PTGDR2MGLLRXRARXRBRXRG
SCHEMBL155534 0.80 PTGDR2 (0.55) PTGDR2KDM4EPPARARXRARXRB
SCHEMBL151878 0.80 PTGDR2 (0.59) PTGDR2RXRARXRBRXRGCYP3A4
SCHEMBL151917 0.80 PTGDR2 (0.48) PTGDR2MGLLPPARGPPARARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 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-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885MGLL 277/4885KDM4E 4789/4885

“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.