SCHEMBL2225878

SCHEMBL2225878

O=C(O)c1cccc(-c2csc(C(=O)C(F)(F)F)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.73
HDAC1 Q13547 2/20 0.64
KMO O15229 2/20 0.50
ABL1 P00519 1/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
PDK2 Q15119 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
CES1 P23141 1/20 0.42
EPHX2 P34913 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL14672203 0.84 HDAC6 (0.62) HDAC6HDAC1ABL1PDK2CES1
SCHEMBL14752547 0.81 KMO (0.54) HDAC6HDAC1KMOABL1RXRA
SCHEMBL2223660 0.78 HDAC6 (0.62) HDAC6HDAC1KMORXRARXRB
SCHEMBL2224563 0.78 HDAC6 (1.00) HDAC6HDAC1KMOHDAC4
Trifluoroacetic Acid SCHEMBL6300559 0.75 KMO (0.75) HDAC6HDAC1KMORXRARXRB
SCHEMBL3638317 0.75 ALAD (0.51) HDAC6KMOABL1
SCHEMBL2225279 0.74 HDAC6 (0.72) HDAC6HDAC1KMOHDAC4
SCHEMBL29904709 0.74 KMO (0.86) KMORXRARXRBCD74MIF
SCHEMBL30725957 0.74 KMO (0.86) KMORXRARXRBCD74MIF
SCHEMBL71238 0.74 KMO (0.86) KMORXRARXRBCD74MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-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 (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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC6 1474/4885HDAC1 640/4885KMO 2929/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC6 1474/4885HDAC1 640/4885KMO 2929/4885

“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.