SCHEMBL1000784

SCHEMBL1000784

CCC[CH]NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CA2 P00918 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 12/20 0.35
CES1 P23141 7/20 0.35
CES2 O00748 2/20 0.33
PLA2G4B P0C869 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G4A P47712 1/20 0.33
BLM P54132 1/20 0.33
MGLL Q99685 1/20 0.33
PLA2G4C Q9UP65 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL7708913 0.88 EPHX1 (0.48) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL420349 0.86 EPHX1 (0.52) EPHX1ALDH1A1MEN1KMT2AFAAH
SCHEMBL7716898 0.84 EPHX1 (0.42) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL1556242 0.80 CYP3A4 (0.33) ALDH1A1POLBCYP1A2
SCHEMBL8791516 0.77 LMNA (0.31) HSD17B10
SCHEMBL998029 0.77
SCHEMBL7463705 0.72
SCHEMBL1417076 0.71 POLB (0.37) ALDH1A1POLB
SCHEMBL1416650 0.70
SCHEMBL3248298 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088865-B1 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS JINA PHARMACEUTICALS INC (US) 2015-10-21 EP claimed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US claimed
EP-2451814-A2 FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA IRM LLC (BM) 2012-05-16 EP claimed
US-7943758-B2 3′-end nucleoside unit comprising phosphoramidite JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-05-17 US claimed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US claimed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 WO claimed
US-20100151002-A1 Guggulphospholipid Methods and Compositions JINA PHARMACEUTICALS, INC. (US) 2010-06-17 US claimed
US-20080039620-A1 3'-End Nucleoside Unit Comprising Phosphoramidite JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-02-14 US claimed
EP-1719778-A1 3'-TERMINAL NUCLEOSIDE UNIT CONTAINING PHOSPHORAMIDITE Japan Science and Technology Agency (JP) 2006-11-08 EP claimed
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9637515-B2 Guggulphospholipid methods and compositions JINA PHARMACEUTICALS, INC. (US) 2017-05-02 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
EP-2737927-B1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-03-30 EP disclosed
EP-1243594-A1 Process for crystallizing N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-6369101-B1 Therapeutic method to treat herpes virus infection REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-04-09 US disclosed
US-5801251-A Process for crystallizing N2 -((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6 -trifluoroacetyl-L-lysyl-L-proline KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-09-01 US disclosed
WO-1998034603-A1 USE OF BETULIN AND ANALOGS THEREOF TO TREAT HERPESVIRUS INFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-08-13 WO disclosed
US-5519146-A MIXTURE OF SOLVENTS, INTERMEDIATE FOR ANGIOTENSIN CONVERTING ENZYME INHIBITOR KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-05-21 US disclosed
EP-0645398-A1 METHOD OF CRYSTALLIZING N?2 -((S)-1-ETHOXYCARBONYL-3-PHENYLPROPYL)-N?6 -TRIFLUOROACETYL-L-LYSYL-L-PROLINE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-03-29 EP 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 (4 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-20100151002-A1 Guggulphospholipid Methods and Compositions SGMS2, SGMS1, PLA2G5 EPHX1 141/4885CA2 4036/4885ALDH1A1 4045/4885
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS EPHX1 44/4885CA2 1439/4885ALDH1A1 1414/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 EPHX1 19/4885CA2 1470/4885ALDH1A1 2013/4885
US-20080039620-A1 3'-End Nucleoside Unit Comprising Phosphoramidite POLR2H, POLN, RNGTT EPHX1 2863/4885CA2 2861/4885ALDH1A1 3269/4885

“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.