SCHEMBL16718944

SCHEMBL16718944

Cc1ccc(S(=O)(=O)/C2=C\CCCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 6/20 0.44
FFAR2 O15552 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
PKM P14618 2/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38

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
SCHEMBL22548445 1.00 GAA (0.50) GAAALDH1A1FFAR2KMT2AMEN1
SCHEMBL16718945 1.00 GAA (0.50) GAAALDH1A1FFAR2KMT2AMEN1
SCHEMBL19318729 0.98 GAA (0.52) GAAALDH1A1FFAR2KMT2AMEN1
SCHEMBL19318751 0.93 GAA (0.54) GAAALDH1A1FFAR2KMT2AMEN1
SCHEMBL7273957 0.85 ALDH1A1 (0.46) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11148487 0.81 HSD11B1 (0.46) ALDH1A1PTGS2
SCHEMBL7266457 0.81 LMNA (0.41) GAARAPGEF4PKMPTGS2CYP3A4
SCHEMBL10673707 0.80 HTR6 (0.48) GAAALDH1A1FFAR2KMT2AMEN1
SCHEMBL8031497 0.79 HSD11B1 (0.43) ALDH1A1PTGS2
SCHEMBL17849720 0.75 GAA (0.65) GAAALDH1A1KMT2AMEN1SMN1; SMN2

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-11850216-B2 18F labeling of proteins using sortases WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-12-26 US disclosed
US-20200384137-A1 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-12-10 US disclosed
US-10556024-B2 18F labeling of proteins using sortases WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-02-11 US disclosed
US-20160287734-A1 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-10-06 US disclosed
WO-2015073746-A9 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-07-23 WO disclosed
WO-2015073746-A2 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-05-21 WO 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 (4 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-11850216-B2 18F labeling of proteins using sortases SORT1, ANPEP, SPG11 GAA 190/4885ALDH1A1 2873/4885FFAR2 2038/4885
US-20160287734-A1 18F LABELING OF PROTEINS USING SORTASES SORT1, ANPEP, SPG11 GAA 202/4885ALDH1A1 2875/4885FFAR2 1974/4885
US-20200384137-A1 18F LABELING OF PROTEINS USING SORTASES SORT1, ANPEP, SPG11 GAA 190/4885ALDH1A1 2873/4885FFAR2 2038/4885
US-10556024-B2 18F labeling of proteins using sortases SORT1, ANPEP, SPG11 GAA 202/4885ALDH1A1 2875/4885FFAR2 1974/4885

“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.