SCHEMBL4848918

SCHEMBL4848918

O=C(C(=O)c1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.73
CES1 P23141 5/20 0.73
SRD5A2 P31213 1/20 0.48
GSK3B P49841 2/20 0.47
PTPN1 P18031 2/20 0.47
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
PPARA Q07869 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20010796 0.86 CES2 (0.83) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL3172262 0.85 CES2 (1.00) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL4843425 0.83 CES2 (0.70) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL2156965 0.78 CES2 (1.00) CES2CES1
SCHEMBL2834217 0.78 CES2 (0.83) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL5199342 0.76 CES2 (0.79) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL7260110 0.75 CES2 (0.73) CES2CES1MEN1TSHRKMT2A
SCHEMBL3058646 0.75 CES2 (0.78) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL4848612 0.75 PTPN1 (0.54) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL3753543 0.74 CES2 (0.76) CES2CES1SRD5A2GSK3BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
EP-1802605-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Amgen, Inc (US) 2007-07-04 EP disclosed
WO-2006044527-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2006-04-27 WO disclosed
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-04-20 US 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-20060084640-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CES2 4307/4885CES1 3870/4885SRD5A2 3338/4885

“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.