SCHEMBL3054455

SCHEMBL3054455

COC(=O)Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.60
ALDH1A1 P00352 7/20 0.58
HPGD P15428 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
KDM4E B2RXH2 6/20 0.58
MAPK1 P28482 1/20 0.58
ATM Q13315 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
USP2 O75604 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 2/20 0.57
PRKD3 O94806 1/20 0.57
PRKD1 Q15139 1/20 0.57
PRKD2 Q9BZL6 1/20 0.57
KCNH2 Q12809 1/20 0.56
MAPT P10636 5/20 0.54

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
SCHEMBL3054890 0.92 KCNH2 (0.57) S1PR4ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3058693 0.90 KCNH2 (0.70) ALDH1A1HPGDNPC1KDM4EMAPK1
SCHEMBL3050185 0.89 KDM4E (0.60) S1PR4ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3058933 0.89 KMT2A (0.57) S1PR4ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3062536 0.88 KCNH2 (0.55) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL3059035 0.88 MAPT (0.58) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL3060256 0.88 KCNH2 (0.60) S1PR4ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3054723 0.87 RAC1 (0.61) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E
SCHEMBL3054696 0.85 MAPT (0.62) S1PR4ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3054670 0.85 KMT2A (0.49) S1PR4ALDH1A1HPGDSMN1; SMN2NPC1

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 21 patents — showing the first 20. 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-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 US disclosed
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-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 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-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 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-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-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-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
US-7326732-B2 EP2 receptor agonists PHARMAGENE LABORATORIES LIMITED (GB) 2008-02-05 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 S1PR4 322/4885ALDH1A1 2212/4885HPGD 665/4885
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 S1PR4 560/4885ALDH1A1 1302/4885HPGD 233/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R S1PR4 322/4885ALDH1A1 2212/4885HPGD 665/4885
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 S1PR4 508/4885ALDH1A1 1588/4885HPGD 211/4885

“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.