SCHEMBL17048813

SCHEMBL17048813

O=[N+]([O-])CC(O)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NLRP1 Q9C000 1/20 0.36
CNR1 P21554 2/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MET P08581 5/20 0.32
KDR P35968 3/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
AURKA O14965 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
YES1 P07947 1/20 0.31
FGFR2 P21802 1/20 0.31
EPHA2 P29317 1/20 0.31
LTK P29376 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
SCHEMBL11663605 0.78 ALDH1A1 (0.47) ALDH1A1NLRP1CNR1MAPTKDM4E
SCHEMBL17048804 0.77 ALDH1A1 (0.42) ALDH1A1NLRP1CNR1MAPTMEN1
SCHEMBL22766426 0.77 ALDH1A1 (0.46) ALDH1A1NLRP1CNR1MAPTKDM4E
SCHEMBL17048815 0.75 TDP1 (0.33) TDP1METKDRAURKAABL1
SCHEMBL2420459 0.75 MET (0.38) METKDRAURKAABL1LCK
SCHEMBL17048866 0.74 MET (0.34) NLRP1METKDRAURKAABL1
SCHEMBL27846107 0.73 ALDH1A1 (0.68) ALDH1A1CNR1MAPTKDM4ETSHR
SCHEMBL4367881 0.73 ALDH1A1 (0.68) ALDH1A1CNR1MAPTKDM4ETSHR
SCHEMBL27794447 0.73 ALDH1A1 (0.68) ALDH1A1CNR1MAPTKDM4ETSHR
SCHEMBL2422450 0.72 MET (0.39) METKDRKDM4ETSHRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459003-B Pyrazole amide derivatives 帝人制药株式会社 2019-06-21 CN disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
CN-106459003-A Pyrazole amide derivatives 帝人制药株式会社 2017-02-22 CN 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-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
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 ALDH1A1 923/4885NLRP1 29/4885CNR1 542/4885

“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.