SCHEMBL2222989

SCHEMBL2222989

O=C(O)CCCc1noc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
HDAC4 P56524 16/20 0.37
HDAC6 Q9UBN7 11/20 0.36
HDAC1 Q13547 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL20469590 0.95 PPARA (0.38) ALDH1A1ITGB3ITGAVITGA2BHDAC4
SCHEMBL989859 0.82 HDAC6 (0.34) HDAC4HDAC6HDAC1HDAC8
SCHEMBL24259635 0.79 HDAC4 (0.40) HDAC4HDAC6HDAC1
SCHEMBL24452460 0.78 HDAC4 (0.41) HDAC4HDAC6
SCHEMBL27545175 0.78 HDAC4 (0.37) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL25873966 0.77 HDAC4 (0.39) HDAC4HDAC6HDAC1HDAC8
SCHEMBL13838829 0.77 HDAC4 (0.33) HDAC4HDAC6HDAC1
SCHEMBL14934811 0.76 HDAC1 (0.52) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL20680138 0.76 CHRM2 (0.39) HDAC4HDAC6HDAC1HDAC8
SCHEMBL13838021 0.76 ALDH1A1 (0.42) ALDH1A1ITGB3ITGAVITGA2BHDAC4

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 13 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
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-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

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 ALDH1A1 767/4885ITGB3 795/4885ITGAV 2808/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B ALDH1A1 1319/4885ITGB3 928/4885ITGAV 3672/4885

“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.