SCHEMBL3049040

SCHEMBL3049040

CCOC(=O)COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)ccc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.48
AHR P35869 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL13088896 0.95 NPC1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3050603 0.94 PTGER2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3062366 0.91 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3067704 0.87 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3048573 0.86 MAPK1 (0.59) SMN1; SMN2MAPTLMNAKMT2AAHR
SCHEMBL3660760 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3662869 0.84 PTGER2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13189474 0.84 KMT2A (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13017411 0.83 PTGER2 (0.52) SMN1; SMN2MAPTLMNAKMT2ANPC1
SCHEMBL13062826 0.83 PTGER2 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 19 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-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-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
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

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 ALDH1A1 2212/4885CYP1A2 672/4885CYP3A4 1979/4885
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 ALDH1A1 1302/4885CYP1A2 1048/4885CYP3A4 1350/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R ALDH1A1 2212/4885CYP1A2 672/4885CYP3A4 1979/4885
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 ALDH1A1 1588/4885CYP1A2 1022/4885CYP3A4 1510/4885

“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.