SCHEMBL1985695

SCHEMBL1985695

CC(C)(C)N(CC(=O)c1ncccc1C(F)(F)F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
GAA P10253 1/20 0.39
NFE2L2 Q16236 1/20 0.38
HSD11B1 P28845 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
DHODH Q02127 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPY2R P49146 1/20 0.37
SSTR4 P31391 3/20 0.36
SSTR1 P30872 1/20 0.36
RBP4 P02753 2/20 0.36
PPARG P37231 1/20 0.35
CNR2 P34972 1/20 0.35
TRPV1 Q8NER1 3/20 0.35

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
SCHEMBL11920844 0.77 CTNNB1 (0.51) CTNNB1WNT3AGAANFE2L2HSD11B1
SCHEMBL4366167 0.74 CTNNB1 (0.51) CTNNB1WNT3AGAANFE2L2HSD11B1
SCHEMBL29365642 0.74 CTNNB1 (0.51) CTNNB1WNT3AGAANFE2L2HSD11B1
SCHEMBL286833 0.73 KDM4E (0.55) CTNNB1WNT3ANFE2L2HSD11B1HCRTR1
SCHEMBL5325529 0.73 CTNNB1 (0.46) CTNNB1WNT3AGAANFE2L2HSD11B1
Hydrochloric Acid SCHEMBL23354263 0.73 CTNNB1 (0.50) CTNNB1WNT3AGAANFE2L2HSD11B1
Bromide SCHEMBL4353378 0.73 CTNNB1 (0.50) CTNNB1WNT3AGAANFE2L2HSD11B1
Hydrochloric Acid SCHEMBL29978860 0.73 CTNNB1 (0.50) CTNNB1WNT3AGAANFE2L2HSD11B1
Hydrochloric Acid SCHEMBL1981601 0.73 CTNNB1 (0.50) CTNNB1WNT3AGAANFE2L2HSD11B1
SCHEMBL1981639 0.72 CTNNB1 (0.47) CTNNB1WNT3ANFE2L2HSD11B1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS HANAZAWA TAKESHI 2011-06-23 US disclosed
WO-2006016218-A1 ARYL OR HETEROARYL CARBONYL DERIVATIVES DERIVATIVES USEFUL AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-02-16 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-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS OPRL1, CNR1, TRPV1 CTNNB1 480/4885WNT3A 1780/4885GAA 3949/4885

“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.