SCHEMBL2414510

SCHEMBL2414510

CC(C)(Sc1nc(CCNc2ncc(-c3cccc(C(F)(F)F)c3)cn2)cs1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
VNN1 O95497 3/20 0.38
TP53 P04637 2/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36

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
Hydrochloric Acid SCHEMBL2414184 0.99 PPARA (0.41) PPARAALDH1A1L3MBTL1GAAATM
SCHEMBL12272334 0.95 PPARA (0.40) PPARAALDH1A1L3MBTL1GAAATM
Hydrochloric Acid SCHEMBL2411935 0.94 PPARA (0.39) PPARAALDH1A1L3MBTL1GAAATM
SCHEMBL12273210 0.92 PPARA (0.43) PPARAALDH1A1L3MBTL1GAAATM
SCHEMBL2415866 0.92 ALDH1A1 (0.37) ALDH1A1L3MBTL1GAAATMVNN1
Hydrochloric Acid SCHEMBL2417585 0.91 PPARA (0.42) PPARAALDH1A1L3MBTL1GAAATM
SCHEMBL2411290 0.90 POLB (0.42) PPARATP53POLBKDM4E
SCHEMBL14451682 0.89 TP53 (0.35) PPARATP53POLB
SCHEMBL2415288 0.89 CTSA (0.39) PPARAGAATP53
Trifluoroacetic Acid SCHEMBL2412639 0.89 LMNA (0.36) GAAATMTP53HDAC3HDAC1

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 7 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-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
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
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 PPARA 1/4885ALDH1A1 175/4885L3MBTL1 4700/4885

“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.