SCHEMBL4015350

SCHEMBL4015350

C[C@H](NC(=O)c1cc(Cl)ccc1OCC1CCCO1)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.56
PTGER2 P43116 3/20 0.55
PTGER1 P34995 1/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ACACB O00763 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GALR3 O60755 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL4015515 0.92 RAB9A (0.47) PTGER4PTGER2PTGER1RAB9ANPC1
SCHEMBL13770453 0.89 ACACB (0.46) PTGER4PTGER2RAB9ANPC1ACACB
SCHEMBL692249 0.86 PTGER4 (0.61) PTGER4PTGER2PTGER1
SCHEMBL4013473 0.80 PTGER4 (0.56) PTGER4PTGER2
SCHEMBL1505058 0.80 PTGER1 (0.57) PTGER1RAB9ANPC1CASP3SENP7
SCHEMBL27653418 0.80 PTGER4 (0.67) PTGER4PTGER2ALDH1A1
SCHEMBL4013897 0.80 PTGER4 (0.67) PTGER4PTGER2ALDH1A1
SCHEMBL692360 0.78 PTGER4 (0.63) PTGER4PTGER2
SCHEMBL27847704 0.78 PTGER4 (0.63) PTGER4PTGER2
SCHEMBL691725 0.78 PTGER4 (0.65) PTGER4PTGER2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756043-B1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2009-07-01 EP disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 US disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO 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 (2 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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 PTGER4 19/4885PTGER2 6/4885PTGER1 2/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885PTGER1 5/4885

“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.