SCHEMBL1757732

SCHEMBL1757732

COc1ccc2c(c1)c(-c1nnc(O)c3ccccc13)c(C)n2CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.58
PLA2G2A P14555 3/20 0.49
PLA2G1B P04054 1/20 0.49
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1B1 P15121 2/20 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
SCHEMBL1757395 0.89 PTGDR2 (0.60) PTGDR2PLA2G2APLA2G1BMEN1KMT2A
SCHEMBL1759164 0.87 PTGDR2 (0.61) PTGDR2AKR1B1
SCHEMBL1757715 0.86 PTGDR2 (0.66) PTGDR2
SCHEMBL1759392 0.86 PTGDR2 (0.62) PTGDR2
SCHEMBL1759190 0.85 PTGDR2 (0.68) PTGDR2
SCHEMBL1757752 0.81 PTGDR2 (0.78) PTGDR2PLA2G2APLA2G1B
SCHEMBL1757779 0.80 PTGDR2 (0.57) PTGDR2POLBAKR1B1
SCHEMBL1757819 0.79 PTGDR2 (0.62) PTGDR2PLA2G2APLA2G1BAKR1B1
SCHEMBL1757478 0.76 PTGDR2 (0.46) PTGDR2AKR1B1
SCHEMBL318378 0.76 PTGDR2 (0.66) PTGDR2PLA2G2APLA2G1BMEN1KMT2A

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-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 13/4885PLA2G2A 1208/4885PLA2G1B 1932/4885

“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.