SCHEMBL2412902

SCHEMBL2412902

CC(C)(Sc1nc(CCNc2ccc(-c3ccc(OC(F)(F)F)cc3)nn2)cs1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
PPARA Q07869 4/20 0.34
PPARD Q03181 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MRE11 P49959 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
SCHEMBL2409331 0.91 HDAC3 (0.36) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2411062 0.89 POLB (0.41) PPARATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL2413254 0.89 NPC1 (0.43) TP53MAPTNPC1RAB9AALDH1A1
SCHEMBL2411601 0.87 CYP1A2 (0.42) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12273613 0.87 SHMT2 (0.39) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2420781 0.87 TP53 (0.41) PPARATP53MAPTNPC1RAB9A
SCHEMBL12274148 0.87 SHMT2 (0.43) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2410184 0.86 SHMT2 (0.41) SHMT2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL2411041 0.86 SHMT2 (0.39) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2413797 0.86 SHMT2 (0.37) SHMT2HDAC3HDAC4HDAC1HDAC7

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 SHMT2 865/4885HDAC3 210/4885HDAC4 422/4885

“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.