SCHEMBL114596

SCHEMBL114596

CCOC(=O)C(=O)C(Br)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 3/20 0.36
ALDH1A1 P00352 6/20 0.34
TRPA1 O75762 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL6336675 0.93 ALDH1A1 (0.36) MAPTL3MBTL1GAAALDH1A1TRPA1
SCHEMBL21009822 0.82 L3MBTL1 (0.44) L3MBTL1GAAALDH1A1TRPA1NPSR1
SCHEMBL381187 0.82 L3MBTL1 (0.44) L3MBTL1GAAALDH1A1TRPA1NPSR1
SCHEMBL29597879 0.78 MAPT (0.39) MAPTL3MBTL1GAAALDH1A1NPSR1
SCHEMBL31547138 0.74 ALDH1A1 (0.45) L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL28249755 0.74 L3MBTL1 (0.42) L3MBTL1ALDH1A1TRPA1NPSR1TSHR
SCHEMBL17200481 0.74 ALDH1A1 (0.45) L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL20833769 0.74 CHRNB2 (0.39) MAPTL3MBTL1GAAALDH1A1NPSR1
SCHEMBL197612 0.73 ALDH1A1 (0.48) L3MBTL1GAAALDH1A1NPSR1TSHR
SCHEMBL198506 0.73 ALDH1A1 (0.48) L3MBTL1GAAALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424860-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 US disclosed
WO-2010126163-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 WO disclosed
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 (3 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 MAPT 3231/4885L3MBTL1 3403/4885GAA 704/4885
US-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC MAPT 3231/4885L3MBTL1 3403/4885GAA 704/4885
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE AR, NR5A1, ARL1 MAPT 1577/4885L3MBTL1 2834/4885GAA 3960/4885

“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.