SCHEMBL1757754

SCHEMBL1757754

Cc1c(-c2nn(C)c(=O)c3ccccc23)c2ccccc2n1CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.72
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
STAT3 P40763 1/20 0.50
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL1757636 0.89 PTGDR2 (0.75) PTGDR2
SCHEMBL1757334 0.88 PTGDR2 (0.77) PTGDR2
SCHEMBL1757679 0.86 PTGDR2 (0.80) PTGDR2ALDH1A1MAPK1STAT3RAB9A
SCHEMBL1757674 0.85 PTGDR2 (0.69) PTGDR2ALDH1A1MAPK1STAT3KDM4E
SCHEMBL1757270 0.85 PTGDR2 (0.81) PTGDR2RAB9A
SCHEMBL1757689 0.84 PTGDR2 (1.00) PTGDR2ALDH1A1RAB9A
SCHEMBL1757543 0.83 PTGDR2 (0.66) PTGDR2ALDH1A1MAPK1STAT3KDM4E
SCHEMBL1757471 0.82 PTGDR2 (0.74) PTGDR2ALDH1A1MAPK1STAT3RAB9A
SCHEMBL1757515 0.82 PTGDR2 (0.77) PTGDR2ALDH1A1HPGDRAB9A
SCHEMBL1757388 0.82 PTGDR2 (0.64) PTGDR2ALDH1A1MAPK1STAT3KDM4E

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 13/4885ALDH1A1 1069/4885MAPK1 2487/4885

“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.