SCHEMBL9237706

SCHEMBL9237706

C=CS(=O)(=O)CCOCCOC

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
TSHR P16473 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL4357945 0.89 ALDH1A1 (0.36) CA2ALDH1A1TP53TSHRHIF1A
SCHEMBL14277759 0.87
SCHEMBL259146 0.87 ALDH1A1 (0.32) CA2ALDH1A1TP53TSHRHIF1A
SCHEMBL16572452 0.83 ALDH1A1 (0.34) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL749982 0.81 CA1 (0.33) CA2ALDH1A1TP53HSD17B10
SCHEMBL8557919 0.80
SCHEMBL12703069 0.79 MEN1 (0.46) ALDH1A1TP53TSHRHIF1AHSD17B10
Ethylene Glycol SCHEMBL9237710 0.79 TSHR (0.30) TSHR
Ethylene Glycol SCHEMBL27885940 0.78 TSHR (0.33) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL16018110 0.78 ALDH1A1 (0.32) ALDH1A1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160015838-A1 Vinylsulfone-based 18F-labeling Compositions and Methods and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA USC STEVENS (US) 2016-01-21 US disclosed
US-5414135-A Vinyl sulfone coupling of polyoxyalkylenes to proteins STERLING WINTHROP INC. (US) 1995-05-09 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-20160015838-A1 Vinylsulfone-based 18F-labeling Compositions and Methods and Uses Thereof TST, VARS1, STS CA2 4778/4885ALDH1A1 1141/4885TP53 981/4885

“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.