Sugi Predict

Sugi Predict / Compounds / SCHEMBL2411034

SCHEMBL2411034

SCHEMBL2411034

CC(C)(Sc1nc(CCN(C/C=C/c2ccccc2)c2ccccn2)cs1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.37
▸ PPARG P37231 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TRPM8 Q7Z2W7 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ NCOR2 Q9Y618 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
SCHEMBL2411036 1.00 PPARA (0.37) PPARAPPARGLMNAHDAC1HDAC6
SCHEMBL2412581 0.91 HDAC1 (0.33) PPARAHDAC1HDAC6ALDH1A1HDAC3
SCHEMBL2412577 0.91 HDAC1 (0.33) PPARAHDAC1HDAC6ALDH1A1HDAC3
SCHEMBL2416305 0.84 PPARA (0.34) PPARAHDAC1HDAC6ALDH1A1HDAC3
SCHEMBL2416307 0.84 PPARA (0.34) PPARAHDAC1HDAC6ALDH1A1HDAC3
SCHEMBL2413518 0.83 HDAC1 (0.33) PPARAPPARGHDAC1HDAC6HDAC3
SCHEMBL2413522 0.83 HDAC1 (0.33) PPARAPPARGHDAC1HDAC6HDAC3
SCHEMBL2413928 0.83 PPARA (0.36) PPARAPPARGLMNAHDAC1HDAC6
SCHEMBL2417449 0.77 HDAC1 (0.34) PPARAHDAC1HDAC6ALDH1A1NPC1
SCHEMBL2417459 0.77 HDAC1 (0.34) PPARAHDAC1HDAC6ALDH1A1NPC1

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 5 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
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 1/4885PPARG 3/4885LMNA 3376/4885

“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.