SCHEMBL4883025

SCHEMBL4883025

CCOC(=O)c1cc(I)cc(NC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MMP13 P45452 1/20 0.45
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL8036269 0.83 KDM4E (0.56) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL7596237 0.82 CA12 (0.62) KDM4ELMNAKMT2AMEN1TSHR
SCHEMBL10179706 0.82 CA12 (0.62) KDM4ELMNATSHRCA12CA1
SCHEMBL650410 0.78 CA12 (0.50) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL7808621 0.77 SMN1; SMN2 (0.70) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL25097723 0.76 LMNA (0.42) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL25522846 0.76 LMNA (0.58) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL4289783 0.76 HPGD (0.71) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3490599 0.76 CYP2C19 (0.60) KDM4ELMNAKMT2AMEN1MAPT
SCHEMBL671606 0.76 CA12 (0.55) LMNACA12CA1CA2CA7

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-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
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 KDM4E 1718/4885LMNA 2362/4885SMN1; SMN2 674/4885

“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.