SCHEMBL3063302

SCHEMBL3063302

CC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.61
▸ ALDH1A1 P00352 5/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ FBP1 P09467 2/20 0.55
▸ NFE2L2 Q16236 2/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ VCP P55072 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL1613935 1.00 GLO1 (0.61) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL3629745 1.00 GLO1 (0.61) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL11327355 0.89 GLO1 (0.58) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL11327350 0.89 GLO1 (0.58) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL11439932 0.87 FBP1 (0.61) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL11439934 0.87 FBP1 (0.61) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL11500735 0.87 GLO1 (0.56) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL11500736 0.87 GLO1 (0.56) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL14267786 0.85 GLO1 (0.59) GLO1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL10690139 0.84 GLO1 (0.68) GLO1ALDH1A1KMT2AKDM4ELMNA

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 10 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
US-4182897-A ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES TORII & CO., LTD. (JP) 1980-01-08 — — 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 (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 GLO1 4620/4885ALDH1A1 2212/4885KMT2A 2036/4885
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 GLO1 3155/4885ALDH1A1 1302/4885KMT2A 4712/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R GLO1 4620/4885ALDH1A1 2212/4885KMT2A 2036/4885
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 GLO1 3288/4885ALDH1A1 1588/4885KMT2A 4755/4885

“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.

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