SCHEMBL22504104

SCHEMBL22504104

CC(CC(N)=O)c1ccc([S+](C)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
FFAR1 O14842 2/20 0.37
STAT3 P40763 1/20 0.37
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP2C19 P33261 3/20 0.34
EPHX1 P07099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TNF P01375 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL11078116 0.85 ALDH1A1 (0.42) GAAHTTCYP2C19L3MBTL1LMNA
SCHEMBL988029 0.78 ACHE (0.47) ACHEFFAR1STAT3GAAHTT
SCHEMBL12883299 0.77 ACHE (0.46) ACHEFFAR1STAT3GAAHTT
SCHEMBL12883148 0.77 ACHE (0.65) ACHEFFAR1STAT3GAAHTT
SCHEMBL12820087 0.77 ACHE (0.65) ACHEFFAR1STAT3GAAHTT
SCHEMBL12883156 0.77 ACHE (0.65) ACHEFFAR1STAT3GAAHTT
SCHEMBL1225215 0.75 GABBR2 (0.47) ACHEFFAR1CYP2C19L3MBTL1LMNA
SCHEMBL12883179 0.75 POLB (0.47) ACHEFFAR1STAT3HTTHPGD
SCHEMBL6223098 0.75 ALOX5 (0.51) ACHEFFAR1STAT3EPHX1MAPT
SCHEMBL14966967 0.75 ALOX5 (0.51) ACHEFFAR1STAT3EPHX1MAPT

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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 US disclosed
EP-2268140-B1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA INC (US) 2020-11-11 EP disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 ACHE 34/4885FFAR1 553/4885STAT3 799/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA ACHE 27/4885FFAR1 543/4885STAT3 881/4885

“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.