SCHEMBL1152773

SCHEMBL1152773

COC(=O)CC/C(C)=C/Cc1c(NC(=O)C(F)(F)F)c2c(c(C)c1OC)COC2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 19/20 0.72
IMPDH1 P20839 14/20 0.72
HDAC3 O15379 3/20 0.60
HDAC4 P56524 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
UGT2B7 P16662 1/20 0.59

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
SCHEMBL1152776 1.00 IMPDH2 (0.72) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473162 0.94 IMPDH2 (0.63) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473007 0.93 IMPDH2 (0.62) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1151979 0.93 IMPDH2 (0.69) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1152865 0.93 IMPDH2 (0.71) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1152863 0.93 IMPDH2 (0.71) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473096 0.92 IMPDH2 (0.61) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1152735 0.91 IMPDH2 (0.72) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1475906 0.90 IMPDH2 (0.59) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473884 0.90 IMPDH2 (0.58) IMPDH2IMPDH1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP disclosed
US-20060106097-A1 Metabolism-modulating agents and uses therefor UNIVERSITY OF QUEENSLAND (AU) 2006-05-18 US disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 WO disclosed
EP-0745074-B1 4-AMINO DERIVATIVES OF MYCOPHENOLIC ACID WITH IMMUNOSUPPRESSANT ACTIVITY SYNTEX LLC (US) 2002-01-02 EP disclosed
WO-1995022535-A1 4-AMINO DERIVATIVES OF MYCOPHENOLIC ACID WITH IMMUNOSUPPRESSANT ACTIVITY SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
US-5441953-A Immunosuppressants SYNTEX (U.S.A.) INC. (US) 1995-08-15 US disclosed
US-5380879-A Immunosuppressants SYNTEX (U.S.A.) INC. (US) 1995-01-10 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 (3 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS IMPDH2 2041/4885IMPDH1 1995/4885HDAC3 1957/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS IMPDH2 2041/4885IMPDH1 1995/4885HDAC3 1957/4885
US-20060106097-A1 Metabolism-modulating agents and uses therefor IMPDH1, IMPDH2, HADHB IMPDH2 2/4885IMPDH1 1/4885HDAC3 1190/4885

“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.