SCHEMBL5103404

SCHEMBL5103404

O=C(O)c1cccc(-c2ccccc2-c2nc(Cl)ccc2OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.69
CYP2C9 P11712 3/20 0.69
CYP3A4 P08684 1/20 0.61
TBXA2R P21731 1/20 0.54
MRGPRX4 Q96LA9 4/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
XBP1 P17861 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5103158 0.86 PTGER1 (0.52) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL5099680 0.82 PTGER1 (1.00) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL5096132 0.81 PTGER1 (1.00) PTGER1CYP2C9CYP3A4MRGPRX4
SCHEMBL5109876 0.79 PTGER1 (0.93) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL5103391 0.78 PTGER1 (0.86) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL5933469 0.77 PTGER1 (0.82) PTGER1CYP2C9CYP3A4TBXA2RMRGPRX4
SCHEMBL4883485 0.77 PTGER1 (1.00) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL4879744 0.76 PTGER1 (1.00) PTGER1CYP2C9CYP3A4TBXA2RMRGPRX4
SCHEMBL4880523 0.76 PTGER1 (1.00) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL4886674 0.76 PTGER1 (0.79) PTGER1CYP2C9CYP3A4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US claimed
US-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor GLAXO GROUP LIMITED (GB) 2007-09-27 US claimed
US-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
EP-1742916-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-01-17 EP disclosed
WO-2005108369-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-11-17 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 (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-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor PTGER1, PTGER2, PTGDR PTGER1 1/4885CYP2C9 223/4885CYP3A4 454/4885

“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.