SCHEMBL4883549

SCHEMBL4883549

Clc1ccc(OCc2ccccc2)c(-c2cccnc2Br)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.58
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 1/20 0.48
S1PR4 O95977 1/20 0.48
LRRK2 Q5S007 1/20 0.47
TBXA2R P21731 1/20 0.46

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
SCHEMBL5096000 0.83 PTGER1 (0.64) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL4878036 0.80 PTGER1 (0.61) PTGER1CYP2C9CYP3A4LRRK2TBXA2R
SCHEMBL14028868 0.79 S1PR4 (0.54) PTGER1CYP2C9CYP3A4KMT2AS1PR4
SCHEMBL4884388 0.76 PTGER1 (0.63) PTGER1CYP2C9CYP3A4KMT2ALRRK2
SCHEMBL2101145 0.75 RAB9A (0.56) PTGER1KMT2ALRRK2
SCHEMBL1805748 0.75 LTA4H (0.64) CYP3A4KMT2AS1PR4
SCHEMBL30711987 0.75 LTA4H (0.64) CYP3A4KMT2AS1PR4
SCHEMBL5103313 0.75 PTGER1 (0.63) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL4883485 0.74 PTGER1 (1.00) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL2111464 0.74 PTGER1 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid PTGER1, PTGER2, PTGDR PTGER1 1/4885CYP2C9 820/4885CYP3A4 1749/4885

“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.