SCHEMBL2417196

SCHEMBL2417196

CC(C)N(CCc1csc(SC(C)(C)C(=O)O)n1)c1ncc(-c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.37
SHMT2 P34897 1/20 0.36
PPARA Q07869 2/20 0.34
PPARD Q03181 2/20 0.34
CTSA P10619 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL2409270 0.89 PPARD (0.37) SHMT2PPARAPPARDMEN1KMT2A
SCHEMBL2414630 0.89 SHMT2 (0.37) NTRK1SHMT2PPARAPPARDDAGLA
SCHEMBL2412551 0.87 SLC22A12 (0.38) PPARAPPARD
SCHEMBL2412787 0.83 SHMT2 (0.39) SHMT2PPARAPPARD
SCHEMBL2410233 0.81 SHMT2 (0.42) SHMT2PPARAPPARD
SCHEMBL2414584 0.81 SHMT2 (0.40) SHMT2PPARAPPARD
SCHEMBL2410250 0.81 MEN1 (0.37) NTRK1SHMT2DAGLAMEN1KMT2A
SCHEMBL2413916 0.80 SHMT2 (0.38) SHMT2PPARAPPARD
SCHEMBL2412519 0.80 GRIN2B (0.39) SHMT2PPARAPPARDDAGLAMEN1
SCHEMBL12272325 0.80 CTSA (0.38) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP 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 (1 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG NTRK1 2986/4885SHMT2 865/4885PPARA 1/4885

“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.