Sugi Predict

Sugi Predict / Compounds / SCHEMBL2224874

SCHEMBL2224874

SCHEMBL2224874

CC(C)(CNC(=O)CCCc1noc(C(F)F)n1)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC8 Q9BY41 4/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ HDAC3 O15379 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
SCHEMBL2222138 0.87 HDAC4 (0.53) HDAC1HDAC8HDAC4HDAC7HDAC9
SCHEMBL2274396 0.80 HDAC8 (0.41) HDAC1HDAC8HDAC4HDAC7HDAC9
SCHEMBL2221954 0.79 HDAC1 (0.33) HDAC1HDAC8HDAC4HDAC7HDAC9
SCHEMBL14297309 0.77 HPGD (0.39) HDAC1HDAC8HDAC4HDAC7HDAC9
SCHEMBL2345961 0.77 MCHR1 (0.33) HDAC1HDAC8HDAC4GAATSHR
SCHEMBL14243906 0.77 HDAC1 (0.41) HDAC1HDAC8HDAC4HDAC7HDAC9
SCHEMBL12518546 0.77 HDAC8 (0.40) HDAC1HDAC8HDAC4HDAC7HDAC9
SCHEMBL2267431 0.77 HDAC8 (0.40) HDAC1HDAC8HDAC4HDAC7HDAC9
SCHEMBL2267435 0.77 HDAC8 (0.40) HDAC1HDAC8HDAC4HDAC7HDAC9
SCHEMBL6976197 0.76 HDAC4 (0.54) HDAC1HDAC8HDAC4HDAC7HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 — — WO claimed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 — — US claimed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 — — EP claimed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — WO claimed
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 — — WO disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 — — US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 — — US disclosed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 — — EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — 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 (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-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC1 1086/4885HDAC8 2221/4885HDAC4 2086/4885

“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.