SCHEMBL20065599

SCHEMBL20065599

CS(=O)(=O)CCOCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 2/20 0.44
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
GLA P06280 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 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
SCHEMBL24737124 0.89 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL16416403 0.83 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL29206277 0.80 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL29679084 0.79 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL29110502 0.79 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1TDP1
Hydrochloric Acid SCHEMBL29110501 0.79 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1TDP1
Hydrochloric Acid SCHEMBL28792339 0.79 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL18942402 0.76 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL12268019 0.75
SCHEMBL22418810 0.75 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105553-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS NATIONAL SCIENCE FOUNDATION 2018-04-19 US 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-20180105553-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS PTMS, TMT1A, PTMA TSHR 1100/4885SMN1; SMN2 4611/4885ALDH1A1 2728/4885

“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.