SCHEMBL3412296

SCHEMBL3412296

CCOC(=O)C1=C(C(F)(F)F)NC(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ADORA2B P29275 2/20 0.42
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
AGTR1 P30556 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1928683 0.88 KDM4E (0.44) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL11035853 0.81 KDM4E (0.61) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL4248485 0.79 KDM4E (0.62) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL9631901 0.76 KDM4E (0.50) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL5608026 0.72 KDM4E (0.59) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL9726323 0.70 ADORA2B (0.50) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL9726284 0.69 KDM4E (0.62) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL833090 0.69 ADORA2B (0.44) KDM4EADORA2BCYP1A2ALDH1A1HTT
SCHEMBL12168803 0.68 CRBN (0.37)
SCHEMBL7235006 0.68 SMN1; SMN2 (0.35) KDM4EKMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed
US-8952042-B2 FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2015-02-10 US disclosed
EP-2262770-B1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-08-01 EP disclosed
EP-2262770-B1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-08-01 EP disclosed
US-7897621-B2 2-trifluoromethylnicotinamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897621-B2 2-trifluoromethylnicotinamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897621-B2 2-trifluoromethylnicotinamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
EP-2262770-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009121740-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
WO-2009121740-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN-LA ROCHE, INC. 2009-10-01 US disclosed
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN-LA ROCHE, INC. 2009-10-01 US disclosed
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN-LA ROCHE, INC. 2009-10-01 US disclosed
EP-1114030-B1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-01 EP disclosed
US-6498125-B2 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-12-24 US disclosed
US-20020016345-A1 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-02-07 US disclosed
EP-1114030-A1 PYRIDINE KETONES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2001-07-11 EP disclosed
WO-2000015615-A1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-03-23 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 (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-20020016345-A1 Pyridine ketones useful as herbicides DDT, PDHA1, IDH2 KDM4E 461/4885KMT2A 946/4885MEN1 4037/4885
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, NPC1 KDM4E 2667/4885KMT2A 436/4885MEN1 976/4885

“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.