SCHEMBL17048990

SCHEMBL17048990

CCOC(=O)CC1(C)CCC(NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
BTK Q06187 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
EPHX1 P07099 1/20 0.33
APLNR P35414 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL17048830 0.85 GAA (0.37) KMT2AMEN1ALDH1A1GAAEPHX2
SCHEMBL17048742 0.79 KMT2A (0.37) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL17048739 0.79 KMT2A (0.37) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL17048744 0.79 KMT2A (0.37) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL15600327 0.78 GAA (0.44) KMT2AMEN1GAABTKMAPK1
SCHEMBL29282264 0.77 BTK (0.41) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL31168732 0.77 GAA (0.43) KMT2AMEN1GAABTKMAPK1
SCHEMBL21025595 0.76 GAA (0.42) KMT2AMEN1GAABTKMAPK1
SCHEMBL23728544 0.75 GAA (0.40) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2579193 0.75 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA KMT2A 1635/4885MEN1 4091/4885ALDH1A1 923/4885

“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.