SCHEMBL4576000

SCHEMBL4576000

O=C(O)c1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 1.00
PTGER4 P35408 6/20 1.00
PTGER1 P34995 1/20 1.00
PTGER3 P43115 2/20 0.70
FABP4 P15090 2/20 0.39
TBXA2R P21731 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 1/20 0.38
NR4A2 P43354 2/20 0.38
FABP3 P05413 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR4A1 P22736 1/20 0.36

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
SCHEMBL1626140 1.00 PTGIR (1.00) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7960055 1.00 PTGIR (1.00) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7960399 0.97 PTGIR (0.94) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7961741 0.96 PTGIR (0.93) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7961736 0.96 PTGIR (0.93) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7949886 0.94 PTGIR (0.89) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7958123 0.94 PTGIR (0.89) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7959445 0.93 PTGIR (0.86) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7961278 0.93 PTGIR (0.86) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7961274 0.93 PTGIR (0.86) PTGIRPTGER4PTGER1PTGER3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513027-B2 Especially oxazole, thiazole and imidazole compounds 2-substituted with phenyl -cycloalkyl or -bicycloalkyl groups; drug screening ASTERAND UK ACQUISITION LIMITED (GB) 2013-08-20 US disclosed
US-20080247954-A1 Methods for the treatment of primary headache disorders using prostanoid EP4 receptor antagonists, and assays for agents for such treatment PHARMAGENE LABORATORIES LIMITED (GB) 2008-10-09 US disclosed
EP-1267867-B1 USE OF PROSTANOID EP4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF HEADACHE AND ASSAYS FOR SUCH ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-14 EP disclosed
US-20030158240-A1 Methods for the treatment of primary headache disorders using prostanoid EP4 receptor antagonists, and assays for agents for such treatment PHARMAGENE LABORATORIES LIMITED 2003-08-21 US disclosed
US-6437146-B1 MESANGIAL PROLIFERATIVE GLOMERULONEPHRITIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-20 US disclosed
EP-1115712-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-18 EP disclosed
US-6245790-B1 ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS; SKN DISORDERS; BONE DISORDERS; MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
WO-2000018744-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed
EP-0989975-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed
WO-2000016760-A2 NEW USE OF PROSTAGLANDIN E2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-30 WO disclosed
WO-1998055468-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-10 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 (2 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-20080247954-A1 Methods for the treatment of primary headache disorders using prostanoid EP4 receptor antagonists, and assays for agents for such treatment PTGER4, PTGER1, PTGER3 PTGIR 6/4885PTGER4 1/4885PTGER1 2/4885
US-20030158240-A1 Methods for the treatment of primary headache disorders using prostanoid EP4 receptor antagonists, and assays for agents for such treatment PTGER1, PTGER4, PTGER3 PTGIR 5/4885PTGER4 2/4885PTGER1 1/4885

“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.