SCHEMBL2398646

SCHEMBL2398646

CCS(C)(C(=O)OC(C)(C)C)c1nc(C(=O)O)cs1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
PLA2G4A P47712 1/20 0.36
HPGDS O60760 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ACHE P22303 1/20 0.34
ABCB1 P08183 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 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
SCHEMBL2400368 0.87 MAOA (0.39) ALDH1A1HPGDSKDM4EACHEABCB1
SCHEMBL31018407 0.72 L3MBTL1 (0.44) ALDH1A1PLA2G4AHPGDSL3MBTL1KDM4E
SCHEMBL31018413 0.70 CA12 (0.44) ALDH1A1PLA2G4AL3MBTL1KDM4EACHE
SCHEMBL1502636 0.69 L3MBTL1 (0.44) ALDH1A1PLA2G4AHPGDSL3MBTL1KDM4E
SCHEMBL30760182 0.67 L3MBTL1 (0.43) ALDH1A1PLA2G4AHPGDSL3MBTL1KDM4E
SCHEMBL31018412 0.66 L3MBTL1 (0.47) ALDH1A1PLA2G4AHPGDSL3MBTL1KDM4E
SCHEMBL27805949 0.65 L3MBTL1 (0.40) ALDH1A1PLA2G4AHPGDSL3MBTL1KDM4E
SCHEMBL2213116 0.65 L3MBTL1 (0.62) L3MBTL1ABCB1
SCHEMBL23353906 0.65 MMP13 (0.47) PLA2G4AL3MBTL1MMP1MMP2MMP9
SCHEMBL1852466 0.65 HDAC3 (0.52) L3MBTL1KDM4EABCB1MMP1MMP2

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
EP-2380884-B1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-02-12 EP disclosed
US-8497382-B2 Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-30 US disclosed
EP-2380884-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2011-10-26 EP disclosed
US-20110237630-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-29 US 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-20110237630-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF PPARA, PPARD, PPARG ALDH1A1 305/4885PLA2G4A 1350/4885HPGDS 1868/4885

“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.