SCHEMBL3043671

SCHEMBL3043671

CCOC(=O)C=Cc1cccc(NC(=O)c2cccc(Br)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GRM5 P41594 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
PKM P14618 2/20 0.43
BACE1 P56817 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL3043668 1.00 MAPT (0.48) MAPTALDH1A1GRM5MEN1KMT2A
SCHEMBL3054109 0.85 CNR2 (0.51) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL3054107 0.85 CNR2 (0.51) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL3065499 0.83 CNR2 (0.49) MAPTALDH1A1MEN1KMT2ATTR
SCHEMBL3057522 0.83 SCN10A (0.49) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL3057523 0.83 SCN10A (0.49) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL3065498 0.83 CNR2 (0.49) MAPTALDH1A1MEN1KMT2ATTR
SCHEMBL3061513 0.82 CNR2 (0.59) MAPTALDH1A1MAOB
SCHEMBL3058740 0.82 SCN10A (0.46) MAPTMEN1KMT2AMAPK1HDAC3
SCHEMBL3061509 0.82 CNR2 (0.59) MAPTALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 US disclosed
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 US disclosed
US-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 US disclosed
US-20090298899-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED 2009-12-03 US disclosed
US-20080119526-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders; e.g. {4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl}-acetic acid PHARMAGENE LABORATORIES LIMITED (GB) 2008-05-22 US disclosed
US-7326732-B2 EP2 receptor agonists PHARMAGENE LABORATORIES LIMITED (GB) 2008-02-05 US disclosed
EP-1723132-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2006-11-22 EP disclosed
US-20050256170-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); e.g. (4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl)-acetic acid or 5-Phenyl-furan-2-carboxylic acid [3-(1H-tetrazol-5-yl)-phenyl]-amide; dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders ASTERAND, INC. 2005-11-17 US disclosed
WO-2005080367-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-09-01 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 (4 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-20090298899-A1 EP2 RECEPTOR AGONISTS PTGER2, PTGER1, TBXA2R MAPT 4372/4885ALDH1A1 2212/4885GRM5 250/4885
US-20080119526-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders; e.g. {4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl}-acetic acid PTGER3, PTGER4, PTGES3 MAPT 4795/4885ALDH1A1 1302/4885GRM5 452/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R MAPT 4372/4885ALDH1A1 2212/4885GRM5 250/4885
US-20050256170-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); e.g. (4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl)-acetic acid or 5-Phenyl-furan-2-carboxylic acid [3-(1H-tetrazol-5-yl)-phenyl]-amide; dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders PTGER3, PTGER1, PTGER4 MAPT 4800/4885ALDH1A1 1588/4885GRM5 428/4885

“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.