SCHEMBL4843572

SCHEMBL4843572

O=C(C(=O)c1cc(F)c(F)c(F)c1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 17/20 0.74
CES1 P23141 16/20 0.74
RAB9A P51151 1/20 0.44
DAO P14920 1/20 0.42
TSHR P16473 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL2156255 0.86 CES2 (1.00) CES2CES1
SCHEMBL3974706 0.83 ALDH1A1 (0.61) CES2CES1RAB9ATSHRALDH1A1
SCHEMBL16503702 0.81 CES2 (0.82) CES2CES1RAB9ADAOTSHR
SCHEMBL28475432 0.81 CES2 (0.79) CES2CES1RAB9A
SCHEMBL29798063 0.81 CES2 (0.79) CES2CES1RAB9A
SCHEMBL6352999 0.80 CES2 (0.52) CES2CES1RAB9A
SCHEMBL7260110 0.80 CES2 (0.73) CES2CES1RAB9ADAOTSHR
SCHEMBL28412506 0.79 CES2 (0.76) CES2CES1RAB9A
Benzil SCHEMBL29124640 0.78 CES2 (0.88) CES2CES1RAB9ADAOTSHR
Benzil SCHEMBL9517636 0.78 CES2 (1.00) CES2CES1RAB9ADAOTSHR

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 3870/4885RAB9A 2209/4885

“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.