SCHEMBL3476038

SCHEMBL3476038

CC(C)(Oc1ncc(Br)cc1C(F)F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 6/20 0.36
AAK1 Q2M2I8 3/20 0.34
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SSTR4 P31391 1/20 0.32
MAP4K4 O95819 2/20 0.32
PDE5A O76074 1/20 0.32
KCNH2 Q12809 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
CYP2C9 P11712 1/20 0.31
ABHD6 Q9BV23 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
SCHEMBL9948731 0.74 PIK3CA (0.33) MAPTKMT2A
SCHEMBL9948908 0.74 AAK1 (0.34) AAK1
SCHEMBL23581002 0.71 POLB (0.36) AAK1MEN1KMT2A
SCHEMBL31065370 0.69 SCN5A (0.35) CYP1A2KCNH2CYP2C9
SCHEMBL15480875 0.69 KDM4E (0.39) KMT2AABHD6
SCHEMBL16095860 0.68 OPRK1 (0.38)
SCHEMBL1046555 0.67 MAP4K4 (0.48) PPARAPPARGPPARDCYP1A2MEN1
SCHEMBL23124495 0.67 PPARA (0.45) PPARAPPARGCYP1A2MEN1CYP3A4
SCHEMBL17143759 0.67 AAK1 (0.42) AAK1
SCHEMBL19025527 0.67 AAK1 (0.62) AAK1

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-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
EP-1641493-A4 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
EP-1641493-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 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-20060115425-A1 Substituted amides CNR1, CNR2, FAAH PPARA 213/4885PPARG 172/4885PPARD 199/4885

“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.