SCHEMBL1757769

SCHEMBL1757769

O=Cc1ccc(=O)n(Cc2ccc(F)cc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.47
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2B6 P20813 1/20 0.45
PTGDR Q13258 1/20 0.45
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.43
HPGD P15428 4/20 0.42

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
SCHEMBL1758331 0.86 MEN1 (0.42) PTGDR2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL1757940 0.79 PTGDR2 (0.56) PTGDR2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL1757756 0.73 PTGDR2 (0.50) PTGDR2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL1757628 0.70 ALDH1A1 (0.70) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23334068 0.69 TP53 (0.51) PTGDR2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL29776824 0.69 TP53 (0.51) PTGDR2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL23297302 0.68 TP53 (0.50) PTGDR2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL1757523 0.68 KDM4E (0.49) PTGDR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL23334067 0.66 MEN1 (0.48) PTGDR2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL27925645 0.66 KDM4E (0.45) PTGDR2CYP1A2CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 PTGDR2 13/4885TP53 4484/4885CYP1A2 879/4885

“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.