SCHEMBL213547

SCHEMBL213547

COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
HTT P42858 3/20 0.77
ALOX15 P16050 3/20 0.68
MAPK1 P28482 2/20 0.68
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 4/20 0.64
HTR6 P50406 2/20 0.64
KDM4E B2RXH2 1/20 0.64
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
PKM P14618 2/20 0.58
TSHR P16473 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NPC1 O15118 1/20 0.57
NR2F2 P24468 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL5281087 0.87 LMNA (0.61) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL5281827 0.87 ALDH1A1 (0.60) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL30532978 0.86 LMNA (0.79) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL29048773 0.86 LMNA (0.79) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6795551 0.85 LMNA (0.77) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL5280989 0.85 LMNA (0.55) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6037954 0.85 LMNA (0.77) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL399122 0.84 LMNA (0.77) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6038322 0.84 LMNA (0.55) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL5284607 0.84 LMNA (0.55) LMNASMN1; SMN2HTTALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876388-B GPR120 agonist and preparation method and application thereof 山东大学 2023-03-31 CN disclosed
CN-112876388-A GPR120 agonist and preparation method and application thereof 山东大学 2021-06-01 CN disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-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
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
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 (3 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 LMNA 851/4885SMN1; SMN2 3733/4885HTT 846/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1962/4885SMN1; SMN2 3557/4885HTT 502/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1851/4885SMN1; SMN2 2705/4885HTT 525/4885

“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.