SCHEMBL2413459

SCHEMBL2413459

CC(C)(Sc1nc(CCNc2ncc(-c3ccc(Cl)cc3)cn2)cs1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.42
SLC22A12 Q96S37 2/20 0.40
MAPT P10636 4/20 0.39
PPARA Q07869 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 4/20 0.37
THRB P10828 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
SCHEMBL12272968 0.91 ALDH1A1 (0.38) TP53SLC22A12MAPTSMN1; SMN2LMNA
SCHEMBL12273067 0.91 SLC22A12 (0.37) TP53SLC22A12MAPTHDAC3HDAC1
SCHEMBL2414304 0.91 PPARA (0.40) TP53SLC22A12MAPTPPARAHDAC6
SCHEMBL12273061 0.90 NPC1 (0.40) TP53SLC22A12MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL2413476 0.90 ALDH1A1 (0.38) TP53SLC22A12MAPTSMN1; SMN2LMNA
SCHEMBL12273016 0.90 TP53 (0.42) TP53SLC22A12MAPTPPARASMN1; SMN2
SCHEMBL12273188 0.90 SLC22A12 (0.42) TP53SLC22A12MAPTPPARAHDAC3
Hydrochloric Acid SCHEMBL2412832 0.90 NPC1 (0.40) TP53SLC22A12MAPTSMN1; SMN2LMNA
SCHEMBL12273867 0.90 TP53 (0.41) TP53SLC22A12MAPTPPARASMN1; SMN2
Hydrochloric Acid SCHEMBL2411652 0.90 TP53 (0.41) TP53SLC22A12MAPTPPARASMN1; SMN2

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 6 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

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 TP53 2553/4885SLC22A12 920/4885MAPT 3435/4885

“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.