SCHEMBL2225328

SCHEMBL2225328

O=C(O)C(Cc1cc(-c2ccccc2)cs1)=NO

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 13/20 0.51
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MMP12 P39900 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2225325 1.00 CTBP2 (0.51) CTBP2HDAC6CYP1A2CYP11B1CYP11B2
SCHEMBL10899166 0.80 PTGS1 (0.50) HDAC6CYP11B1CYP11B2MMP12NPC1
SCHEMBL2226492 0.78 HDAC6 (0.43) HDAC6CYP11B1CYP11B2MMP12NPC1
SCHEMBL11261403 0.75 HDAC6 (0.43) HDAC6CYP11B1CYP11B2MMP12NPC1
SCHEMBL20604117 0.71 FFAR1 (0.53) HDAC6CYP1A2CYP11B1CYP11B2MMP12
SCHEMBL988896 0.71 CYP11B1 (0.49) HDAC6CYP11B1CYP11B2MMP12NPC1
SCHEMBL30179341 0.71 HDAC6 (0.49) CTBP2HDAC6MMP12
SCHEMBL28552907 0.69 CTBP2 (1.00) CTBP2CYP1A2CYP2C19
SCHEMBL29346017 0.69 CTBP2 (1.00) CTBP2CYP1A2CYP2C19
SCHEMBL12531530 0.68 CYP11B1 (0.49) HDAC6CYP11B1CYP11B2MMP12NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 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 CTBP2 4233/4885HDAC6 1474/4885CYP1A2 179/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY CTBP2 4233/4885HDAC6 1474/4885CYP1A2 179/4885

“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.