SCHEMBL2518355

SCHEMBL2518355

CC(C)(C)OC(=O)Nc1sc(-c2ccccc2C(F)(F)F)nc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KMO O15229 2/20 0.38
LCK P06239 3/20 0.38
ATR Q13535 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PIM1 P11309 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RBP4 P02753 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2518575 0.88 NPC1 (0.38) LCKKDM4EMEN1NPC1GAA
SCHEMBL2519144 0.88 LCK (0.44) LMNAALDH1A1HPGDLCKMEN1
SCHEMBL6522116 0.85 SCN10A (0.40) ALDH1A1PIM1KDM4ENPC1RAB9A
SCHEMBL2522295 0.84 NPC1 (0.46) ALDH1A1HPGDLCKHSD17B10KDM4E
SCHEMBL2524813 0.83 KDM4E (0.48) ALDH1A1HPGDCYP1A2HSD17B10KDM4E
SCHEMBL2521682 0.83 KDM4E (0.48) ALDH1A1HPGDLCKKDM4ENPSR1
SCHEMBL2522570 0.83 LCK (0.38) LCKPIM1MEN1NPC1GAA
SCHEMBL6523055 0.80 LCK (0.47) LCKMEN1NPC1GAARAB9A
SCHEMBL14800615 0.80 PIM1 (0.37) LCKPIM1
SCHEMBL30482296 0.79 CNR1 (0.44) LMNAPOLBPPARDPPARAKDM4E

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900657-B1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-03-11 EP disclosed
CN-104640858-B Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use 霍夫曼-拉罗奇有限公司 2018-11-06 CN disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
CN-103987707-B The base heterocyclic radical benzamide compound of pyrazoles 4 and application method 霍夫曼-拉罗奇有限公司 2017-11-07 CN disclosed
US-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
US-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
US-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 US disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 WO disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 WO disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 US disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 US disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 US disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 US disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 US disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 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 (2 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-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 LMNA 755/4885POLB 2522/4885PPARD 1000/4885
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 LMNA 464/4885POLB 1157/4885PPARD 1465/4885

“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.