SCHEMBL5093908

SCHEMBL5093908

COC(=O)CCc1ccc(OCc2ccccc2)c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
PTGDR2 Q9Y5Y4 8/20 0.44
P2RX3 P56373 2/20 0.43
MGAT2 Q10469 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 2/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
YAP1 P46937 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL17798385 0.83 PTGDR2 (0.44) PTGDR2P2RX3TLR9TLR7YAP1
SCHEMBL30838655 0.83 PTGDR2 (0.44) PTGDR2P2RX3TLR9TLR7YAP1
SCHEMBL24383529 0.83 P2RX3 (0.46) PTGDR2P2RX3TLR9TLR7YAP1
SCHEMBL30329765 0.82 P2RX3 (0.45) PTGDR2P2RX3TLR9TLR7YAP1
SCHEMBL5090357 0.82 P2RX3 (0.45) PTGDR2P2RX3TLR9TLR7YAP1
SCHEMBL30200681 0.82 P2RX3 (0.45) PTGDR2P2RX3TLR9TLR7YAP1
SCHEMBL5096329 0.81 ESR2 (0.44) P2RX3MGAT2DGAT2
SCHEMBL5096638 0.78 PPARD (0.48) PPARGPPARAPPARD
SCHEMBL22366365 0.78 ESR2 (0.46) P2RX3
SCHEMBL19679227 0.77 P2RX3 (0.47) PTGDR2P2RX3TLR9TLR7TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
EP-1687299-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051945-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2005-06-09 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 (1 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-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA PPARG 1/4885PTGDR2 234/4885P2RX3 1934/4885

“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.