SCHEMBL2223391

SCHEMBL2223391

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
PRNP P04156 1/20 0.59
RECQL P46063 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC6 Q9UBN7 16/20 0.51
HDAC4 P56524 12/20 0.51
HDAC1 Q13547 12/20 0.51
HDAC3 O15379 8/20 0.51
RPS6KB2 Q9UBS0 1/20 0.44
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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
Trifluoroacetic Acid SCHEMBL17707553 0.83 HDAC6 (0.50) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL2223317 0.82 HPGD (0.64) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL6912513 0.81 HDAC6 (0.46) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL13838138 0.80 LMNA (0.88) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL2315352 0.76 LMNA (0.61) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL8418103 0.76 POLB (0.66) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL14086849 0.76 HDAC6 (0.51) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL25701028 0.74 RPS6KB2 (0.60) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL2281538 0.74 RXFP1 (0.44) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL18160153 0.73 ALDH1A1 (0.57) ALDH1A1LMNAPRNPRECQLRXFP1

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-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 767/4885LMNA 28/4885PRNP 1613/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B ALDH1A1 1319/4885LMNA 222/4885PRNP 2444/4885

“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.