SCHEMBL6546647

SCHEMBL6546647

O=C(NCCS)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HTT P42858 1/20 0.67
TGM2 P21980 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
KEAP1 Q14145 2/20 0.57
NFE2L2 Q16236 2/20 0.57
MAPT P10636 1/20 0.56
CTRB1 P17538 2/20 0.55
SLC1A3 P43003 1/20 0.55
SLC1A1 P43005 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KAT2B Q92831 1/20 0.51
GAA P10253 1/20 0.51
IDO1 P14902 1/20 0.51

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
SCHEMBL10950730 0.91 HTT (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
Cadaverine Tartrate SCHEMBL30467086 0.91 LMNA (0.60) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL2741815 0.90 HTT (0.72) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL10490888 0.89 LMNA (0.57) LMNASMN1; SMN2HTTTGM2CTRB1
SCHEMBL13055383 0.89 LMNA (0.80) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL28904365 0.86 LMNA (0.65) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL18254066 0.86 HTT (0.81) LMNASMN1; SMN2HTTTGM2L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.84 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL375858 0.84 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL9874334 0.84 HTT (0.79) LMNASMN1; SMN2HTTTGM2L3MBTL1

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-6696500-B2 BIOACTIVE SUBSTANCE HAVING ACIDIC GROUP AND A BIODEGRADABLE POLYMER HAVING AN OPTIONALLY PROTECTED BASIC GROUP, SUCH AS A POLYLACTONE THAT HAS BEEN ESTERIFIED, AMIDATED, OR THIOESTERIFIED WITH A COMPOUND HAVING CYCLIC AMINO GROUPS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-24 US disclosed
EP-0815853-B1 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-21 EP disclosed
US-20010038854-A1 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-6264970-B1 BIODEGRADABLE POLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-0815853-A2 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 EP disclosed
EP-0074599-A1 5,6-cis-Carbapenem derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed
EP-0032400-A1 (3SR, 4RS)-3-((RS)-1-hydroxyethyl)- and -((RS)-1-acyloxyethyl)-2-oxo-4-azetidineacetic acid compounds and a process for preparing the same MERCK & CO. INC. (US) 1981-07-22 EP 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-20010038854-A1 Sustained-release preparation BMP2, PGF, AREG LMNA 1563/4885SMN1; SMN2 1666/4885HTT 4358/4885

“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.