SCHEMBL2223317

SCHEMBL2223317

COC(=O)CCCc1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
HDAC6 Q9UBN7 15/20 0.51
HDAC4 P56524 11/20 0.51
HDAC1 Q13547 9/20 0.48
HDAC3 O15379 8/20 0.48
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PRNP P04156 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RPS6KB2 Q9UBS0 1/20 0.40
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL13838139 0.84 HPGD (0.89) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL8418260 0.83 HPGD (0.57) HPGDHDAC6HDAC4HDAC1HDAC3
SCHEMBL2223391 0.82 ALDH1A1 (0.59) HPGDHDAC6HDAC4HDAC1HDAC3
SCHEMBL8421789 0.82 HPGD (0.56) HPGDHDAC6HDAC4ALDH1A1LMNA
SCHEMBL8421822 0.82 HPGD (0.60) HPGDHDAC6HDAC4ALDH1A1LMNA
SCHEMBL8419847 0.81 HPGD (0.55) HPGDHDAC6HDAC4HDAC1HDAC3
SCHEMBL8421679 0.81 HPGD (0.58) HPGDHDAC6HDAC4ALDH1A1LMNA
SCHEMBL8421568 0.81 HPGD (0.62) HPGDHDAC6HDAC4HDAC1ALDH1A1
SCHEMBL8418264 0.80 HPGD (0.57) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL8419837 0.80 HPGD (0.54) HPGDHDAC6HDAC4HDAC1HDAC3

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
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US 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
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-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-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HPGD 2186/4885HDAC6 1991/4885HDAC4 2086/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HPGD 2446/4885HDAC6 1763/4885HDAC4 2773/4885

“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.