SCHEMBL5094047

SCHEMBL5094047

O=C(N1Cc2c(O)ccc(Br)c2C1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 5/20 0.41
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
TRAP1 Q12931 1/20 0.36
HSP90AA1 P07900 2/20 0.32
TERT O14746 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL506312 0.81 ESR1 (0.43) ABHD6ESR1ESR2CA12CA1
SCHEMBL5095980 0.79 ABHD6 (0.44) ABHD6ESR1ESR2
SCHEMBL17114724 0.76 ESR1 (0.45) ABHD6ESR1ESR2EP300CREBBP
SCHEMBL25825897 0.74 ABHD6 (0.47) ABHD6ESR1ESR2TRAP1HSP90AA1
SCHEMBL5095884 0.74 ESR2 (0.43) ABHD6ESR2
SCHEMBL30814652 0.73 ESR1 (0.45) ABHD6ESR1ESR2EP300CREBBP
SCHEMBL17798364 0.71 ABHD6 (0.36) ABHD6TRAP1HSP90AA1CA1CA2
SCHEMBL19693487 0.71 ABHD6 (0.44) ABHD6ESR1ESR2EP300CREBBP
SCHEMBL587897 0.70 ABHD6 (0.69) ABHD6ESR1ESR2TRAP1EP300
SCHEMBL17798326 0.68 ESR1 (0.45) ABHD6ESR1ESR2EP300CREBBP

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 5 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
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
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 ABHD6 498/4885ESR1 2080/4885ESR2 1156/4885

“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.