SCHEMBL23723322

SCHEMBL23723322

Nc1cccc(SCC(F)=CCNC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CTSK P43235 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 2/20 0.34
POLB P06746 2/20 0.34
FFAR1 O14842 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL23723321 1.00 APEX1 (0.38) APEX1ALDH1A1CTSKKDM4EGAA
SCHEMBL23723267 0.86 KMT2A (0.41) APEX1ALDH1A1CTSKKDM4EGAA
SCHEMBL23723269 0.86 KMT2A (0.41) APEX1ALDH1A1CTSKKDM4EGAA
SCHEMBL23723345 0.84 ALDH1A1 (0.41) APEX1ALDH1A1KDM4EGAAPOLB
SCHEMBL23723347 0.84 ALDH1A1 (0.41) APEX1ALDH1A1KDM4EGAAPOLB
SCHEMBL23746020 0.83 CTSK (0.35) ALDH1A1CTSKKDM4EGAAPOLB
SCHEMBL30633625 0.83 CTSK (0.35) ALDH1A1CTSKKDM4EGAAPOLB
SCHEMBL23723344 0.77 ALDH1A1 (0.36) APEX1ALDH1A1GAAPOLBHDAC3
SCHEMBL23723341 0.77 ALDH1A1 (0.36) APEX1ALDH1A1GAAPOLBHDAC3
SCHEMBL21646305 0.76 GAA (0.40) ALDH1A1KDM4EGAAPOLBSMN1; SMN2

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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2023-11-02 US disclosed
WO-2021155439-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2021-08-12 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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF MAOB, LOX, LPO APEX1 298/4885ALDH1A1 367/4885CTSK 556/4885

“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.