SCHEMBL3058786

SCHEMBL3058786

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.50
PDE5A O76074 2/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
GRM5 P41594 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
F2R P25116 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL3062346 0.90 ACKR3 (0.49) ACKR3PDE5APDE1APDE1BPDE1C
SCHEMBL3053827 0.84 CNR2 (0.54) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3044384 0.82 ALDH1A1 (0.52) GRM5ALDH1A1F2RSMN1; SMN2MAPT
SCHEMBL3065396 0.82 SCN10A (0.52) PDE5ASMN1; SMN2MAPTLMNA
SCHEMBL3061964 0.81 SCN10A (0.48) PDE5AHPGDMAPTMEN1HTT
SCHEMBL3066130 0.80 CNR2 (0.49) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3059121 0.80 KMT2A (0.56) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL3058627 0.80 MAPT (0.52) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL3043668 0.79 MAPT (0.48) ACKR3GRM5ALDH1A1HPGDF2R
SCHEMBL3043671 0.79 MAPT (0.48) ACKR3GRM5ALDH1A1HPGDF2R

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 ACKR3 324/4885PDE5A 872/4885PDE1A 309/4885
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 ACKR3 69/4885PDE5A 1545/4885PDE1A 2144/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R ACKR3 324/4885PDE5A 872/4885PDE1A 309/4885
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 ACKR3 91/4885PDE5A 1413/4885PDE1A 2332/4885

“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.