SCHEMBL988554

SCHEMBL988554

NC(=O)COc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
TSHR P16473 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.50
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGDR Q13258 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.47
PTGER1 P34995 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4143335 0.87 TDP1 (0.70) GAATSHRKDM4ETDP1MAPT
SCHEMBL11768844 0.84 TSHR (0.61) GAATSHRKDM4ETDP1MAPT
SCHEMBL277495 0.81 TDP1 (0.72) GAATSHRHTTTDP1MAPT
SCHEMBL14058725 0.81 TSHR (0.58) GAATSHRKDM4ETDP1MAPT
SCHEMBL12781084 0.81 GAA (0.61) GAATSHRKDM4ETDP1MAPT
SCHEMBL22777296 0.81 TDP1 (0.66) TSHRTDP1MAPTPTGDR2PTGDR
SCHEMBL9129712 0.81 SMN1; SMN2 (0.57) GAATSHRKDM4EHTTTDP1
SCHEMBL20521955 0.80 TSHR (0.65) GAATSHRKDM4ETDP1MAPT
SCHEMBL31497167 0.80 TSHR (0.65) GAATSHRKDM4ETDP1MAPT
SCHEMBL945720 0.80 TSHR (0.65) GAATSHRMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 GAA 4851/4885TSHR 192/4885KDM4E 2641/4885
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 GAA 4657/4885TSHR 292/4885KDM4E 1749/4885
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 GAA 4687/4885TSHR 285/4885KDM4E 1716/4885

“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.