SCHEMBL6337398

SCHEMBL6337398

CCCCC(Br)C(=O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.50
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
CA2 P00918 4/20 0.40
CA1 P00915 2/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 3/20 0.38
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TRPA1 O75762 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3828447 0.88 ZDHHC7 (0.40) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL11955306 0.85 ZDHHC7 (0.40) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL594084 0.85 ZDHHC7 (0.40) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL11491089 0.84 CYP1A2 (0.47) ZDHHC7CYP3A4TSHRATMTDP1
SCHEMBL2470603 0.84 ZDHHC7 (0.42) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL11491094 0.84 KYAT1 (0.41) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL26984770 0.82 ALDH1A1 (0.36) ZDHHC7TSHRMAPK1ALDH1A1TRPA1
SCHEMBL729131 0.82 ZDHHC7 (0.60) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7353073 0.82 ZDHHC7 (0.60) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL27836648 0.82 ZDHHC7 (0.60) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-17 US disclosed
US-6960601-B2 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-01 US disclosed
WO-2005099705-A2 PREPARATION OF IMIDAZOLE DERIVATIVES AND METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-27 WO disclosed
EP-1432691-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
US-20040063691-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-04-01 US disclosed
WO-2003040107-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 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 (2 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-20040063691-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC ZDHHC7 1764/4885LCK 1680/4885PPARD 178/4885
US-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC ZDHHC7 1764/4885LCK 1680/4885PPARD 178/4885

“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.