SCHEMBL2223189

SCHEMBL2223189

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
RPS6KB2 Q9UBS0 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
MLYCD O95822 1/20 0.34
LMNA P02545 2/20 0.33
PTGER2 P43116 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MIF P14174 1/20 0.33
PRNP P04156 1/20 0.33
RECQL P46063 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL8418028 0.84 HPGD (0.47) HPGDRPS6KB2ALDH1A1MAPTTRPV1
SCHEMBL2281538 0.83 RXFP1 (0.44) RPS6KB2ALDH1A1MAPTTRPV1LMNA
SCHEMBL13838137 0.83 HPGD (0.55) HPGDRPS6KB2ALDH1A1MAPTTRPV1
SCHEMBL8418209 0.83 HPGD (0.44) HPGDRPS6KB2TRPV1TSHRPKM
SCHEMBL8418172 0.83 HPGD (0.46) HPGDRPS6KB2TRPV1TSHRPKM
SCHEMBL8421783 0.82 HPGD (0.45) HPGDRPS6KB2TRPV1TSHRPKM
SCHEMBL8419352 0.82 HPGD (0.45) HPGDRPS6KB2TRPV1TSHRPKM
SCHEMBL8418014 0.81 HPGD (0.47) HPGDRPS6KB2TRPV1PKMPTGER2
SCHEMBL8417489 0.81 HPGD (0.44) HPGDRPS6KB2TRPV1PKMMLYCD
SCHEMBL8419376 0.81 HPGD (0.44) HPGDRPS6KB2ALDH1A1MAPTTRPV1

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-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
EP-2523560-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-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
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 2186/4885RPS6KB2 1542/4885ALDH1A1 767/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HPGD 2446/4885RPS6KB2 423/4885ALDH1A1 1319/4885

“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.