SCHEMBL2413121

SCHEMBL2413121

CN(CCc1csc(SC(C)(C)C(=O)O)n1)c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC22A12 Q96S37 2/20 0.39
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MLNR O43193 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DGAT1 O75907 1/20 0.33
GRM5 P41594 1/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32

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
SCHEMBL2413991 0.91 SLC22A12 (0.39) NPC1ALDH1A1RAB9ASMN1; SMN2SLC22A12
SCHEMBL2410085 0.90 ALDH1A1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2SLC22A12
SCHEMBL2413685 0.83 NPC1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2SLC22A12
SCHEMBL12271460 0.83 RAB9A (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2SLC22A12
Hydrochloric Acid SCHEMBL2410755 0.82 RAB9A (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2SLC22A12
SCHEMBL2413735 0.82 RAB9A (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2SLC22A12
SCHEMBL2412439 0.80 SLC22A12 (0.40) ALDH1A1SMN1; SMN2SLC22A12MAPTL3MBTL1
SCHEMBL2414289 0.80 PPARA (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2SLC22A12
SCHEMBL2411454 0.80 PPARA (0.36) SMN1; SMN2SLC22A12MEN1MAPTKMT2A
SCHEMBL2412519 0.78 GRIN2B (0.39) MEN1KMT2ADGAT1MCHR1

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 NPC1 271/4885ALDH1A1 175/4885RAB9A 2891/4885

“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.