SCHEMBL17048927

SCHEMBL17048927

CN(C)/C=C(\C(=O)OCc1ccccc1)C(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ELANE P08246 2/20 0.38
CES1 P23141 1/20 0.37

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
SCHEMBL17048929 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL28587894 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL10136139 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL4105252 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL4105254 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL15148305 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL28589558 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL17048991 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL14101169 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HCAR2TDP1
SCHEMBL25523124 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTHPGD

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 7 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-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

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 ALDH1A1 923/4885KMT2A 1635/4885MEN1 4091/4885

“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.