SCHEMBL10085248

SCHEMBL10085248

C[C@H](NC(=O)c1cccc2nc(Nc3ccc(Cl)cc3)oc12)c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.49
PTGDR Q13258 5/20 0.45
PTGER2 P43116 4/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PHGDH O43175 1/20 0.43

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
SCHEMBL12900455 0.91 HDAC3 (0.42) PTGER4HDAC3HDAC1HDAC8HDAC6
SCHEMBL12585200 0.89 PTGER4 (0.51) PTGER4PTGDRPTGER2HDAC3HDAC1
SCHEMBL10085253 0.88 ALDH1A1 (0.40) PTGER4HDAC3HDAC1HDAC8HDAC6
SCHEMBL12585207 0.86 PTGER4 (0.54) PTGER4PTGDRPTGER2
SCHEMBL12948806 0.83 GAA (0.51) HDAC6
SCHEMBL12585199 0.81 LMNA (0.41)
SCHEMBL12583769 0.80 RAB9A (0.49)
SCHEMBL13619317 0.80 ERAP1 (0.39)
SCHEMBL12583785 0.80 HDAC3 (0.44) PTGER4PTGER2HDAC3HDAC1HDAC8
SCHEMBL12583797 0.78 DRD2 (0.47) PTGER4PTGDRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 US disclosed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 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-20110028463-A1 AMIDE COMPOUNDS PTGER4, PTGER1, PTGER2 PTGER4 1/4885PTGDR 10/4885PTGER2 3/4885

“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.