SCHEMBL1757907

SCHEMBL1757907

Cc1c(Cc2ccc(=O)n(CCCC(F)(F)F)n2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00
PTGDR Q13258 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C8 P10632 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2A6 P11509 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2B6 P20813 1/20 0.69
CYP2C19 P33261 1/20 0.69
PTGIR P43119 1/20 0.57

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
SCHEMBL1757639 0.89 PTGDR2 (1.00) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL1757595 0.85 PTGDR2 (0.75) PTGDR2
SCHEMBL1757857 0.85 PTGDR2 (0.86) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL1757658 0.85 PTGDR2 (0.84) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL1757391 0.84 PTGDR2 (0.84) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL1757541 0.83 PTGDR2 (1.00) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL1757560 0.83 PTGDR2 (1.00) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL1757635 0.82 PTGDR2 (1.00) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL1757731 0.82 PTGDR2 (1.00) PTGDR2
SCHEMBL1757461 0.82 PTGDR2 (1.00) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8

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
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO claimed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US claimed
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

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 13/4885PTGDR 12/4885CYP1A2 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.