SCHEMBL23977288

SCHEMBL23977288

C#Cc1ccc(COS(=O)(=O)c2ccc(C)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 1/20 0.34
CA14 Q9ULX7 1/20 0.34
STAT3 P40763 1/20 0.34
CCR6 P51684 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 2/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
GAA P10253 1/20 0.32
AR P10275 1/20 0.32
RORC P51449 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
VDR P11473 1/20 0.31
PSMD10 O75832 1/20 0.31
CYP3A4 P08684 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
SCHEMBL25909525 0.84 STAT3 (0.39) CA1CA9CA12CA2STAT3
SCHEMBL31723841 0.80 SMN1; SMN2 (0.45) ALDH1A1NFE2L2GAABCHEACHE
SCHEMBL23977388 0.80 ALDH1A1 (0.40) CA1CA9CA12CA2STAT3
SCHEMBL12482669 0.79 CA2 (0.50) CA1CA9CA12CA2CA4
SCHEMBL25909219 0.78 HRH3 (0.40) CA1CA9CA12CA2STAT3
SCHEMBL25972575 0.77 STAT3 (0.38) CA1CA9CA12CA2STAT3
SCHEMBL31723903 0.77 MBOAT4 (0.37) CA1CA9CA12STAT3ALDH1A1
SCHEMBL23977291 0.76 GRM5 (0.32)
SCHEMBL26970924 0.74 ALDH1A1 (0.37) CA1CA9CA12CA2STAT3
SCHEMBL3777059 0.73 SYK (0.50) ALDH1A1

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
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
EP-4143172-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES Syddansk Universitet (DK) 2023-03-08 EP disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 CA1 3800/4885CA9 1252/4885CA12 1853/4885

“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.