SCHEMBL22207993

SCHEMBL22207993

NCC(=O)NCCOCCOCCCCCCCl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
FAAH O00519 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
CA14 Q9ULX7 4/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NCF1 P14598 1/20 0.32
TLR2 O60603 1/20 0.32

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
SCHEMBL9921220 0.84 HRH3 (0.37) CA2SMN1; SMN2ALDH1A1FAAHGAA
SCHEMBL12474155 0.84 FAAH (0.46) CA2SMN1; SMN2FAAHGAAEPHX2
SCHEMBL22207996 0.84 HRH3 (0.37) CA2SMN1; SMN2ALDH1A1FAAHGAA
SCHEMBL8524743 0.84 FAAH (0.46) CA2SMN1; SMN2FAAHGAAEPHX2
SCHEMBL22207898 0.84 HRH3 (0.37) CA2SMN1; SMN2ALDH1A1FAAHGAA
SCHEMBL16094632 0.84 FAAH (0.40) CA2SMN1; SMN2ALDH1A1FAAHGAA
SCHEMBL22208023 0.84 HRH3 (0.37) CA2SMN1; SMN2ALDH1A1FAAHGAA
SCHEMBL21549536 0.84 FAAH (0.40) CA2SMN1; SMN2ALDH1A1FAAHGAA
SCHEMBL31251083 0.84 FAAH (0.46) CA2SMN1; SMN2FAAHGAAEPHX2
SCHEMBL21385216 0.84 ALDH1A1 (0.36) CA2SMN1; SMN2ALDH1A1FAAHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023215823-A1 MEASUREMENT OF PERMEATION OF SMALL MOLECULES INTO GRAM NEGATIVE BACTERIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-11-09 WO disclosed
EP-3908306-A1 PHOSPHATASE BINDING COMPOUNDS AND METHODS OF USING SAME Yale University (US) 2021-11-17 EP disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 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 (1 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 CA2 2737/4885SMN1; SMN2 1455/4885ALDH1A1 3756/4885

“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.