SCHEMBL8574248

SCHEMBL8574248

CCS(=O)(=O)NCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.32
KCNH3 Q9ULD8 2/20 0.32
PTGES O14684 1/20 0.31
CNR2 P34972 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
SCHEMBL24670869 0.81 TSHR (0.36) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8612225 0.81 TSHR (0.43) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL13850424 0.80 GAA (0.39) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL14099491 0.80 EPHX2 (0.35) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8592245 0.79 CA2 (0.40) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL607318 0.77
SCHEMBL8404635 0.76 GRIA1 (0.50) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8404337 0.76 TSHR (0.39) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL24571859 0.74 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AHPGDPTGES
Di(Hydroxyethyl)Ether SCHEMBL28929647 0.74 TSHR (0.59) TSHRMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002317-A1 AMPK ACTIVATORS KALLYOPE, INC. 2022-01-06 US disclosed
WO-2021263039-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2021-12-30 WO 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 (2 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-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 TSHR 2617/4885MAPK1 2374/4885ALDH1A1 291/4885
US-20220002317-A1 AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 TSHR 1538/4885MAPK1 1464/4885ALDH1A1 2075/4885

“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.