SCHEMBL2411784

SCHEMBL2411784

CCCCCCCN(CCc1csc(SC(C)(C)C(=O)O)n1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MMP14 P50281 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 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
SCHEMBL2413183 0.91 KCNH2 (0.35) KCNH2MAPTHDAC1HDAC6PTGES
SCHEMBL2415871 0.87 PPARA (0.41) PPARGPPARAPPARD
SCHEMBL12274160 0.86 SLC22A12 (0.35) SLC22A12PPARGPPARAPPARD
SCHEMBL2410358 0.85 PPARA (0.41) MAPTPPARGPPARAPPARDALDH1A1
SCHEMBL2414153 0.85 PPARA (0.39) PPARGPPARAPPARD
SCHEMBL2413100 0.85 PPARA (0.39) PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL2412321 0.85 PPARA (0.35) SLC22A12PPARGPPARAPPARD
SCHEMBL12273804 0.85 PPARA (0.34) SLC22A12PPARGPPARAPPARD
SCHEMBL2412574 0.85 PPARA (0.42) SLC22A12PPARGPPARAPPARD
SCHEMBL2414314 0.82 LMNA (0.36) PPARGPPARAPPARD

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 KCNH2 4223/4885SLC22A12 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.

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