SCHEMBL986492

SCHEMBL986492

COc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL595376 0.89 ALDH1A1 (0.46) ALDH1A1GAAPPARGPPARANR1H4
SCHEMBL7403879 0.89 ALDH1A1 (0.55) ALDH1A1GAANR1H4POLBMAPT
SCHEMBL3951774 0.86 CFD (0.54) ALDH1A1GAAPPARGNR1H4POLB
SCHEMBL10809983 0.85 ALDH1A1 (0.72) ALDH1A1GAAMAPTIMPDH2IMPDH1
SCHEMBL16412251 0.85 KDM4E (0.49) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL24073948 0.85 TDP1 (0.46) ALDH1A1GAAPPARGPOLBMAPT
SCHEMBL31679547 0.84 ALDH1A1 (0.56) ALDH1A1GAAPOLBMAPTIMPDH2
SCHEMBL8708428 0.84 ALDH1A1 (0.56) ALDH1A1GAAPOLBMAPTIMPDH2
SCHEMBL15388323 0.84 PPARG (0.49) ALDH1A1GAAPPARGPPARANR1H4
SCHEMBL14872846 0.84 ALDH1A1 (0.43) ALDH1A1GAAPPARGPPARANR1H4

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-2576495-B1 NOVEL DERIVATIVES OF MESALAZINE, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INTESTINAL INFLAMMATORY DISEASES SOFAR SPA (IT) 2017-10-25 EP disclosed
US-8835475-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-16 US disclosed
US-8501794-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-08-06 US disclosed
CN-102272111-A 1,2 -thiazol yl derivatives as cannabinoid receptor ligands 2011-12-07 CN disclosed
EP-2344463-A2 1,2 -THIAZOL YL DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7872033-B2 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
CN-101765593-A 2-iminoisothiazole derivatives as cannabinoid receptor ligands ABBOTT LAB 2010-06-30 CN disclosed
WO-2010054024-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-05-14 WO disclosed
EP-2146973-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-27 EP disclosed
US-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2009-01-22 US disclosed
WO-2008130953-A2 2-IMIN0IS0THIAZ0LE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-30 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-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TBXA2R ALDH1A1 1737/4885GAA 4851/4885PPARG 37/4885
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 1465/4885GAA 4657/4885PPARG 348/4885
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 1518/4885GAA 4687/4885PPARG 344/4885

“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.