SCHEMBL2413652

SCHEMBL2413652

CC(C)(Sc1nc(CCN(Cc2cnn(-c3ccccc3)c2)c2ncc(C#N)cn2)cs1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.34
SLC22A12 Q96S37 6/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NR4A1 P22736 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
ESR2 Q92731 1/20 0.31
BRPF1 P55201 2/20 0.31
ERCC5 P28715 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL2408022 0.90 MEN1 (0.34) PPARAKDM4EALDH1A1LMNAPOLB
SCHEMBL12273248 0.90 MAPT (0.33) PPARASLC22A12KDM4EALDH1A1LMNA
SCHEMBL2415594 0.89 BRPF1 (0.33) PPARASLC22A12KDM4EALDH1A1LMNA
SCHEMBL2412096 0.89 BRPF1 (0.33) KDM4EALDH1A1LMNAPOLBGAA
Hydrochloric Acid SCHEMBL2413850 0.89 MAPT (0.32) PPARASLC22A12KDM4EALDH1A1LMNA
SCHEMBL2412677 0.89 PPARG (0.33) PPARAKDM4EALDH1A1LMNAPOLB
SCHEMBL12276508 0.88 KDM4E (0.31) KDM4EALDH1A1LMNAPOLBGAA
SCHEMBL2416103 0.88 ERCC5 (0.32) KDM4EALDH1A1LMNAPOLBGAA
SCHEMBL2413214 0.87 BRPF1 (0.36) PPARASLC22A12KDM4EALDH1A1LMNA
SCHEMBL12272694 0.85 ALKBH1 (0.35) ALDH1A1MAPT

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 4 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-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 1/4885SLC22A12 920/4885KDM4E 3335/4885

“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.