SCHEMBL1757538

SCHEMBL1757538

COC(=O)Cn1c(C)c(-c2ccc(=O)n(CC(N)=O)n2)c2cc(F)ccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.62
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HK1 P19367 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 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
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGDR Q13258 1/20 0.45

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
SCHEMBL1757698 0.82 PTGDR2 (0.72) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL1757806 0.81 PTGDR2 (0.71) PTGDR2
SCHEMBL1758127 0.79 PTGDR2 (0.80) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL1757905 0.78 ALDH1A1 (0.53) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1757923 0.77 PTGDR2 (0.82) PTGDR2
SCHEMBL1758013 0.77 PTGDR2 (0.86) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL1757175 0.77 PTGDR2 (1.00) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL1757520 0.77 ALDH1A1 (0.52) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1757985 0.77 PTGDR2 (0.71) PTGDR2
SCHEMBL1758078 0.77 PTGDR2 (1.00) 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 2 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
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 13/4885ALDH1A1 1069/4885LMNA 4342/4885

“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.