SCHEMBL8404635

SCHEMBL8404635

CC(C)S(=O)(=O)NCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.50
NPY5R Q15761 2/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.36
GRIA4 P48058 2/20 0.36
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL24074971 0.82 GRIA1 (0.52) GRIA1NPY5RTSHRMEN1KMT2A
SCHEMBL24571852 0.81 GRIA1 (0.50) GRIA1NPY5RMEN1KMT2AALDH1A1
SCHEMBL23344388 0.80 GRIA1 (0.54) GRIA1NPY5RTSHRALDH1A1GRIA4
SCHEMBL24571555 0.79 GRIA1 (0.48) GRIA1NPY5RMEN1KMT2AALDH1A1
SCHEMBL24571558 0.79 GRIA1 (0.48) GRIA1NPY5RMEN1KMT2AALDH1A1
SCHEMBL147253 0.79 GRIA1 (0.62) GRIA1NPY5RALDH1A1GRIA4
SCHEMBL19592332 0.78 GRIA1 (0.52) GRIA1NPY5RALDH1A1GRIA4
SCHEMBL24571575 0.78 GRIA1 (0.52) GRIA1NPY5RTSHRMEN1KMT2A
SCHEMBL24571561 0.78 GRIA1 (0.52) GRIA1NPY5RTSHRMEN1KMT2A
SCHEMBL8612225 0.78 TSHR (0.43) TSHRMAPK1MEN1KMT2AALDH1A1

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
WO-2023097190-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 WO disclosed
US-20220340599-A1 AMPK ACTIVATORS KALLYOPE, INC. 2022-10-27 US disclosed
US-20220002317-A1 AMPK ACTIVATORS KALLYOPE, INC. 2022-01-06 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 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 (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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 GRIA1 411/4885NPY5R 598/4885TSHR 2617/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 GRIA1 411/4885NPY5R 598/4885TSHR 2617/4885
US-20220002317-A1 AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 GRIA1 597/4885NPY5R 584/4885TSHR 1538/4885
US-20220340599-A1 AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 GRIA1 597/4885NPY5R 584/4885TSHR 1538/4885

“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.