SCHEMBL6522116

SCHEMBL6522116

CC(C)(C)OC(=O)Nc1sc(-c2ccccc2OC(F)(F)F)nc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.40
ABL1 P00519 1/20 0.39
PIM1 P11309 2/20 0.39
SCN9A Q15858 4/20 0.38
DHODH Q02127 1/20 0.38
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 3/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL2524813 0.88 KDM4E (0.48) KDM4ENPC1RAB9AALDH1A1
SCHEMBL2518575 0.86 NPC1 (0.38) KDM4ENPC1RAB9A
SCHEMBL2518355 0.85 LMNA (0.44) PIM1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2519144 0.84 LCK (0.44) NPC1RAB9AALDH1A1
SCHEMBL2522295 0.83 NPC1 (0.46) KDM4ENPC1RAB9AALDH1A1
SCHEMBL2521682 0.81 KDM4E (0.48) KDM4ENPC1RAB9AALDH1A1L3MBTL1
SCHEMBL2522570 0.81 LCK (0.38) PIM1SCN9ADHODHNPC1RAB9A
SCHEMBL2523289 0.79 MAPT (0.39) NPC1RAB9ARORC
SCHEMBL2523163 0.79 PIM1 (0.36) PIM1NPC1RAB9A
SCHEMBL14800615 0.78 PIM1 (0.37) PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102625807-B 4-Substituted pyridin-3-yl-carboxamide compounds and methods of use HOFFMAN-LA ROCHE LTD. (CH) 2016-03-09 CN disclosed
EP-2475659-B1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-10-28 EP disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
EP-2475659-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-07-18 EP 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

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-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 SCN10A 4560/4885ABL1 4/4885PIM1 1/4885

“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.