SCHEMBL21787552

SCHEMBL21787552

CC(C)NCC(O)CS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BLM P54132 2/20 0.43
APEX1 P27695 1/20 0.43
ADRB2 P07550 7/20 0.38
ADRB1 P08588 7/20 0.38
ADRB3 P13945 7/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.37
GLA P06280 1/20 0.37
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL21623902 0.80 LMNA (0.41) LMNAMEN1KMT2ABLMAPEX1
SCHEMBL21518421 0.80 LMNA (0.41) LMNAMEN1KMT2ABLMAPEX1
SCHEMBL14134835 0.77 KISS1R (0.38) ADRB2ADRB1KDM4E
SCHEMBL4594420 0.77 SLC22A6 (0.31)
SCHEMBL10278439 0.76 HDAC7 (0.31)
SCHEMBL23267902 0.76 LMNA (0.31) LMNAKDM4E
SCHEMBL15509647 0.75 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL5085551 0.75 SLC22A6 (0.30) LMNAMEN1KMT2ABLMKDM4E
SCHEMBL26306291 0.75 KDM4E (0.45) LMNAMEN1KMT2AKDM4E
SCHEMBL14590743 0.75 SLC22A6 (0.36)

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-20210246344-A1 Biological buffers with wide buffering ranges DALY THOMAS (US) 2021-08-12 US disclosed
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2020-03-05 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-20200071582-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP LMNA 1639/4885MEN1 9/4885KMT2A 1937/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP LMNA 1653/4885MEN1 9/4885KMT2A 1967/4885

“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.