SCHEMBL2224656

SCHEMBL2224656

CC(C)(CNC(=O)c1cccc(-c2ncc(C(=O)C(F)(F)F)s2)c1)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
HDAC4 P56524 4/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
ULK1 O75385 5/20 0.42
HDAC6 Q9UBN7 4/20 0.42
PTPN11 Q06124 1/20 0.38
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
ADCY8 P40145 2/20 0.35
ADCY1 Q08828 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 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
SCHEMBL14752502 0.92 HDAC1 (0.55) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL2227818 0.88 HDAC1 (0.58) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL2226370 0.86 HDAC1 (0.57) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL2226066 0.83 HDAC1 (0.58) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL2226356 0.83 HDAC1 (0.60) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL2226020 0.82 HDAC1 (0.58) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL14752466 0.81 HDAC1 (0.57) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL2224975 0.80 HDAC1 (0.47) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL2288946 0.80 HDAC1 (0.56) HDAC1HDAC4HDAC7HDAC8HDAC9
SCHEMBL17219878 0.80 HDAC1 (0.60) HDAC1HDAC4HDAC7HDAC8HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US claimed
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
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
WO-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 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 HDAC1 640/4885HDAC4 1441/4885HDAC7 1956/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC1 640/4885HDAC4 1441/4885HDAC7 1956/4885

“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.