SCHEMBL975822

SCHEMBL975822

COc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NO)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.52
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
AVPR2 P30518 2/20 0.48
GPR27 Q9NS67 2/20 0.48
PGR P06401 1/20 0.48
CYP19A1 P11511 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC4 P56524 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN5 P54829 1/20 0.47
PLAU P00749 1/20 0.47
TCF4 P15884 1/20 0.47
CTNNB1 P35222 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL974545 0.91 HDAC1 (0.57) BRD4HDAC1HDAC4ALDH1A1MEN1
SCHEMBL1082274 0.80 BRD4 (0.50) BRD4MAPTHDAC1PTPN2PTPN5
SCHEMBL3982591 0.78 SERPINE1 (0.50) BRD4MAPTTP53PTPN5ALDH1A1
SCHEMBL3984770 0.78 SERPINE1 (0.58) BRD4MAPTTP53HDAC1PTPN5
SCHEMBL978418 0.78 HDAC1 (0.59) BRD4PGRCYP19A1HDAC1PTPN2
SCHEMBL4087564 0.76 SERPINE1 (0.51) BRD4MAPTTP53PTPN5ALDH1A1
SCHEMBL6513237 0.76 MAPT (0.65) MAPTCYP19A1HDAC1HDAC4PLAU
SCHEMBL3979859 0.75 ALDH1A1 (0.51) BRD4MAPTTP53PTPN5ALDH1A1
SCHEMBL3982480 0.75 SERPINE1 (0.51) BRD4MAPTTP53PTPN5ALDH1A1
SCHEMBL3980009 0.75 HIF1A (0.56) BRD4MAPTTP53PTPN5ALDH1A1

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
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 BRD4 683/4885MAPT 2336/4885TP53 2045/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 BRD4 683/4885MAPT 2336/4885TP53 2045/4885

“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.