SCHEMBL26428772

SCHEMBL26428772

CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(COC(=O)S)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.58
HPGD P15428 3/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 2/20 0.36
NHERF1 O14745 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL23417844 0.91 TLR4 (0.56) TLR4HPGDRECQLALDH1A1CA1
SCHEMBL26428735 0.87 TLR4 (0.65) TLR4HPGDRECQLALDH1A1CA1
SCHEMBL871966 0.84 TLR4 (0.71) TLR4HPGDRECQLALDH1A1CA1
SCHEMBL871525 0.84 TLR4 (0.71) TLR4HPGDRECQLALDH1A1CA1
SCHEMBL872429 0.84 TLR4 (0.60) TLR4HPGDRECQLALDH1A1CA1
SCHEMBL871427 0.84 TLR4 (0.62) TLR4HPGDRECQLALDH1A1CA1
SCHEMBL24668231 0.83 TLR4 (0.45) TLR4HPGDRECQLALDH1A1MEN1
SCHEMBL871862 0.81 TLR4 (0.56) TLR4HPGDRECQLALDH1A1RAB9A
SCHEMBL26422913 0.80 TLR4 (0.45) TLR4HPGDRECQLALDH1A1RAB9A
SCHEMBL871345 0.80 TLR4 (0.71) TLR4HPGDRECQLALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 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 (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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 TLR4 3806/4885HPGD 4378/4885RECQL 3643/4885

“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.