SCHEMBL210928

SCHEMBL210928

O=C(O)c1ccc(C(S)c2nc3cc(F)c(F)cc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.45
MLKL Q8NB16 3/20 0.45
NR4A2 P43354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
F10 P00742 1/20 0.38
HDAC11 Q96DB2 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 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
SCHEMBL211294 0.90 EGLN1 (0.49) EGLN1MLKLNR4A2SMN1; SMN2ALOX5
SCHEMBL212875 0.79 HDAC1 (0.47) HDAC11
SCHEMBL1065417 0.78 MLKL (0.47) EGLN1MLKLTDP1CYP1A2TSHR
SCHEMBL24074305 0.74 NR4A2 (0.68) EGLN1NR4A2MMP2MMP9MMP8
SCHEMBL211607 0.72 PRSS12 (0.45) HDAC11
SCHEMBL4107335 0.69 HSD17B10 (0.61) ALPLALPIALPGCBFBCYP1A2
SCHEMBL210929 0.68 ALOX5 (0.72) SMN1; SMN2TDP1ALOX5EPHX2HDAC11
SCHEMBL12895233 0.68 MLKL (0.54) MLKLSMN1; SMN2HSP90AA1ESR2TDP1
SCHEMBL18785691 0.68 MLKL (0.68) EGLN1MLKLNR4A2SMN1; SMN2HSP90AA1
SCHEMBL29488679 0.68 ALDH1A1 (0.51) MLKLNR4A2SMN1; SMN2HSP90AA1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 EGLN1 425/4885MLKL 2383/4885NR4A2 2217/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 EGLN1 587/4885MLKL 3184/4885NR4A2 1871/4885

“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.