SCHEMBL6277529

SCHEMBL6277529

O=C(O)C(CSSc1ccccn1)N1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 3/20 0.32
PKM P14618 1/20 0.32
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MT-CO2 P00403 1/20 0.31

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
SCHEMBL16047480 0.90 HDAC1 (0.34) MMETSHRALDH1A1KMT2AMAPT
SCHEMBL17668001 0.85 MME (0.36) MMETSHRALDH1A1KMT2AMAPT
SCHEMBL26122506 0.81 MME (0.45) MMEALDH1A1PKM
SCHEMBL29141153 0.81 ELANE (0.32) ALDH1A1ELANEPKM
SCHEMBL44725 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL30367749 0.73 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL5485914 0.73 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL16047481 0.72 HDAC1 (0.36) ALDH1A1HDAC1HDAC2HDAC4HDAC6
SCHEMBL29427565 0.72 HDAC1 (0.34) MT-CO2ALOX5HDAC1HDAC2HDAC4
SCHEMBL28279888 0.71 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1

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-20180223260-A1 FUNCTIONALIZED NANOPARTICLES FOR THE INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES AND METHODS FOR THEIR MANUFACTURE AND USE STEMGENICS, INC. (US) 2018-08-09 US claimed
US-20180223260-A1 FUNCTIONALIZED NANOPARTICLES FOR THE INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES AND METHODS FOR THEIR MANUFACTURE AND USE STEMGENICS, INC. (US) 2018-08-09 US disclosed
EP-0941738-B1 Antigenic conjugates of conserved lipooligosaccharides of gram negative bacteria WYETH CORP (US) 2005-05-11 EP disclosed
US-20040052804-A1 Antigenic conjugates of conserved lipopolysaccharides of gram negative bacteria WYETH HOLDINGS CORPORATION 2004-03-18 US disclosed
US-6645503-B1 Eliciting a cross reactive immune response against heterologous strains of the gram negative bacteria; vaccines; comprises the inner core and lipid A portions of the lipopolysaccharide WYETH HOLDINGS CORPORATION 2003-11-11 US disclosed
EP-0941738-A1 Antigenic conjugates of conserved lipopolysaccharides of gram negative bacteria American Cyanamid Company (US) 1999-09-15 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-20040052804-A1 Antigenic conjugates of conserved lipopolysaccharides of gram negative bacteria LY96, DDOST, LRBA MME 1023/4885TSHR 3105/4885ALDH1A1 4023/4885

“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.