SCHEMBL1057599

SCHEMBL1057599

COC(=O)c1ccc(CCN2C(=O)CCN2CCC(=O)Cc2cccc(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.47
PTGER2 P43116 16/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4597894 0.90 PTGER2 (0.58) PTGER4PTGER2
SCHEMBL4086064 0.86 PTGER4 (0.47) PTGER4PTGER2MEN1KMT2AALDH1A1
SCHEMBL1057453 0.84 PTGER2 (0.65) PTGER4PTGER2CYP3A4CYP2D6CYP2C9
SCHEMBL4087358 0.83 PTGER4 (0.55) PTGER4PTGER2MEN1KMT2A
SCHEMBL1058456 0.81 PTGER2 (0.54) PTGER4PTGER2
SCHEMBL1057413 0.80 PTGER2 (0.56) PTGER4PTGER2
SCHEMBL30754102 0.79 PTGER2 (0.54) PTGER4PTGER2
SCHEMBL30754089 0.79 PTGER2 (0.54) PTGER4PTGER2
SCHEMBL4087365 0.78 PTGER4 (0.49) PTGER4PTGER2MEN1KMT2A
SCHEMBL1050665 0.76 PTGER2 (0.46) PTGER4PTGER2

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
US-7863312-B2 Pyrazolidinone compounds as ligands of the prostaglandin EP2 and/or EP4 receptors MERCK SERONO SA (CH) 2011-01-04 US disclosed
US-20080234346-A1 PYRAZALIDINONE COMPOUNDS AS LIGANDS OF THE PROSTAGLANDIN EP2 AND/OR EP4 RECEPTORS LABORATOIRES SERONO S.A. (CH) 2008-09-25 US disclosed
US-7410991-B2 Pyrazolidinone compounds as ligands of the prostaglandin EP2 and/or EP4 receptors LABORATOIRES SERONO S.A. (CH) 2008-08-12 US disclosed
US-20040254233-A1 Pyrazolidinone compounds as ligands of the prostaglandin ep2 and/or ep4 receptors MERCK SERONO SA (CH) 2004-12-16 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 (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-20040254233-A1 Pyrazolidinone compounds as ligands of the prostaglandin ep2 and/or ep4 receptors PTGER4, PTGER2, PTGER1 PTGER4 1/4885PTGER2 2/4885CYP3A4 354/4885
US-20080234346-A1 PYRAZALIDINONE COMPOUNDS AS LIGANDS OF THE PROSTAGLANDIN EP2 AND/OR EP4 RECEPTORS PTGER4, PTGER2, PTGER1 PTGER4 1/4885PTGER2 2/4885CYP3A4 135/4885

“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.