SCHEMBL2116911

SCHEMBL2116911

Cc1c(CO)cccc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
NR3C1 P04150 1/20 0.31
PTPN1 P18031 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2115046 0.86 LMNA (0.33) GABRA1GABRB2MEN1KMT2AHTT
SCHEMBL1208112 0.85 MEN1 (0.37) PDCD1CD274CYP4F2CYP4A11GAA
SCHEMBL7413781 0.75 CA12 (0.43) GAAMEN1KMT2AHTTL3MBTL1
SCHEMBL638392 0.75 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL20564934 0.74 KMT2A (0.36) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1209124 0.74 MEN1 (0.36) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL9752985 0.74 PSEN1 (0.47)
SCHEMBL6005339 0.73 TRPM8 (0.46) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1974011 0.72 KMT2A (0.38) GAAMEN1KMT2AHTTL3MBTL1
SCHEMBL28449626 0.71 L3MBTL1 (0.42) MEN1KMT2AHTTL3MBTL1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 PDCD1 3721/4885CD274 3706/4885CYP4F2 567/4885

“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.