SCHEMBL5283413

SCHEMBL5283413

COC(=O)CCSCC(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 4/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SLC1A1 P43005 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1845437 0.85 TSHR (0.55) TSHRHSD17B10KMT2AABL1RIN1
SCHEMBL112204 0.82 TSHR (0.63) TSHRHSD17B10KMT2AABL1RIN1
SCHEMBL9589394 0.81 TSHR (0.50) TSHRHSD17B10KMT2AABL1RIN1
SCHEMBL4200738 0.81 TSHR (0.50) TSHRHSD17B10KMT2ATDP1MEN1
SCHEMBL8919913 0.80 TSHR (0.42) TSHRHSD17B10KDM4EALDH1A1MAPT
SCHEMBL15282755 0.80 TSHR (0.60) TSHRHSD17B10KMT2AABL1RIN1
SCHEMBL5839442 0.79 TSHR (0.48) TSHRHSD17B10KMT2AABL1RIN1
SCHEMBL22345266 0.78
SCHEMBL3086758 0.78 TSHR (0.57) TSHRHSD17B10KMT2AABL1RIN1
SCHEMBL10505708 0.77 TSHR (0.39) TSHRHSD17B10KMT2ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (1 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 TSHR 2191/4885HSD17B10 684/4885KMT2A 30/4885

“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.