SCHEMBL2766437

SCHEMBL2766437

O=C(O)c1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 10/20 1.00
EPHX2 P34913 2/20 0.74
CYP2C8 P10632 1/20 0.67
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
RXRG P48443 1/20 0.58
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
GSK3B P49841 2/20 0.52
PTPN1 P18031 1/20 0.52

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
SCHEMBL78879 0.93 SRD5A2 (0.87) SRD5A2EPHX2CYP2C8CES2CES1
SCHEMBL1330891 0.93 SRD5A2 (0.87) SRD5A2EPHX2CYP2C8CES2CES1
Water SCHEMBL28138640 0.91 SRD5A2 (0.83) SRD5A2EPHX2CYP2C8CES2CES1
Hydrochloric Acid SCHEMBL8432890 0.91 SRD5A2 (0.83) SRD5A2EPHX2CYP2C8CES2CES1
SCHEMBL1042428 0.91 SRD5A2 (0.83) SRD5A2EPHX2CYP2C8CES2CES1
SCHEMBL23521062 0.91 SRD5A2 (0.83) SRD5A2EPHX2CYP2C8CES2CES1
SCHEMBL6762584 0.91 SRD5A2 (0.83) SRD5A2EPHX2CYP2C8CES2CES1
SCHEMBL29208531 0.91 SRD5A2 (0.83) SRD5A2EPHX2CYP2C8CES2CES1
SCHEMBL648641 0.91 SRD5A2 (0.83) SRD5A2EPHX2CYP2C8CES2CES1
Ethylene SCHEMBL715322 0.89 SRD5A2 (0.80) SRD5A2EPHX2CYP2C8CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-7700599-B2 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2010-04-20 US disclosed
CN-101511791-A Piperazinyl derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LTD (GB) 2009-08-19 CN disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 US disclosed
EP-2041093-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2009-04-01 EP disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 US disclosed
WO-2008000729-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2008-01-03 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-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GPR68, GPR88, GPR3 SRD5A2 3179/4885EPHX2 4308/4885CYP2C8 356/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 SRD5A2 458/4885EPHX2 1686/4885CYP2C8 131/4885

“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.