SCHEMBL13380708

SCHEMBL13380708

CC(=O)C[S+]([O-])CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
TRPA1 O75762 1/20 0.37
CA1 P00915 2/20 0.35
LMNA P02545 2/20 0.32
SLC15A2 Q16348 1/20 0.32
CA4 P22748 2/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL10269463 0.89 LMNA (0.38) ALDH1A1TDP1FFAR3LCKFYN
SCHEMBL6134171 0.85
SCHEMBL11949568 0.83 MGAM (0.48) ALDH1A1LMNAMGAMGAASI
SCHEMBL16609885 0.81
SCHEMBL14945716 0.79
SCHEMBL454918 0.78
SCHEMBL11554744 0.75 CES2 (0.41) ALDH1A1TDP1
SCHEMBL1286839 0.69 LMNA (0.35) ALDH1A1FFAR3LCKFYNLMNA
SCHEMBL686322 0.69
SCHEMBL14998106 0.69 ALDH1A1 (0.50) ALDH1A1TDP1TRPA1CA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101340893-B Intranasal administration of rapid acting insulin NASTECH PHARM CO 2012-03-21 CN disclosed
CN-102046021-A Film coated compressed chewing gum FERTIN PHARMA AS 2011-05-04 CN disclosed
US-20100080843-A1 Natural and synthetic sulfur and selenium analogs and polymer conjugated forms thereof for the modulation of angiogenesis The Research Foundation of the State University Of New York at Albany (US) 2010-04-01 US disclosed
US-20100080843-A1 Natural and synthetic sulfur and selenium analogs and polymer conjugated forms thereof for the modulation of angiogenesis The Research Foundation of the State University Of New York at Albany (US) 2010-04-01 US disclosed
CN-101340893-A Intranasal administration of rapid acting insulin NASTECH PHARM CO (US) 2009-01-07 CN 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-20100080843-A1 Natural and synthetic sulfur and selenium analogs and polymer conjugated forms thereof for the modulation of angiogenesis SCLY, SELE, GPX1 ALDH1A1 1027/4885TDP1 3998/4885FFAR3 841/4885

“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.