SCHEMBL434495

SCHEMBL434495

CC(C)(C)OC(=O)C[C@H]1CC[C@H](c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
DGAT1 O75907 13/20 0.44
MRGPRX4 Q96LA9 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.37
CHRM2 P08172 1/20 0.37
SOAT1 P35610 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL434494 1.00 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL10147935 0.89 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL600642 0.88 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL600641 0.88 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL601291 0.88 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL601290 0.88 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL664188 0.87 ALDH1A1 (0.46) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL5531306 0.86 ESR2 (0.53) CYP2C9ALDH1A1LMNAMAPTGPR119
SCHEMBL25447087 0.85 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL601321 0.85 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
CN-103201271-A Derivatives of oxadiazole and pyridazine, their preparation and their application in therapeutics SANOFI SA 2013-07-10 CN disclosed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP disclosed
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 WO disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 CYP2C9 64/4885ALDH1A1 126/4885LMNA 4261/4885
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L CYP2C9 295/4885ALDH1A1 565/4885LMNA 1049/4885

“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.