SCHEMBL26422913

SCHEMBL26422913

CCC(C)C(=O)OCc1ccc(NS(=O)(=O)C2CCCC=C2C(=O)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.45
HPGD P15428 4/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.33
PTPRB P23467 3/20 0.33
RECQL P46063 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
ACP1 P24666 1/20 0.32
RAB9A P51151 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
SCHEMBL26446125 0.83 TLR4 (0.44) TLR4HPGDALDH1A1
SCHEMBL23417844 0.81 TLR4 (0.56) TLR4HPGDALDH1A1RECQLRAB9A
SCHEMBL26428772 0.80 TLR4 (0.58) TLR4HPGDALDH1A1RECQLRAB9A
SCHEMBL26422836 0.80 TLR4 (0.42) TLR4HPGD
SCHEMBL29344080 0.79 TLR4 (0.42) TLR4HPGDALDH1A1RAB9A
SCHEMBL24668231 0.79 TLR4 (0.45) TLR4HPGDALDH1A1RECQL
SCHEMBL872429 0.79 TLR4 (0.60) TLR4HPGDALDH1A1POLBRECQL
SCHEMBL26422997 0.78 TLR4 (0.51) TLR4
SCHEMBL26422869 0.77 TLR4 (0.61) TLR4
SCHEMBL871525 0.74 TLR4 (0.71) TLR4HPGDALDH1A1RECQL

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 4378/4885ALDH1A1 1047/4885

“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.