SCHEMBL29985473

SCHEMBL29985473

O=S(=O)(Nc1ncc(Br)nc1O)[C@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 13/20 0.41
▸ S100A9 P06702 6/20 0.34
▸ CCR5 P51681 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
SCHEMBL16248209 1.00 CCR4 (0.41) CCR4S100A9CCR5
SCHEMBL16235307 0.84 CCR4 (0.62) CCR4CCR5
SCHEMBL16235480 0.75 CCR4 (0.67) CCR4S100A9
SCHEMBL16235468 0.72 S100A9 (0.64) CCR4S100A9
SCHEMBL16248231 0.63 S100A9 (0.58) CCR4S100A9
SCHEMBL17472732 0.63 S100A9 (0.58) CCR4S100A9
SCHEMBL16248230 0.63 S100A9 (0.58) CCR4S100A9
SCHEMBL16235019 0.63 S100A9 (0.61) CCR4S100A9
SCHEMBL16235482 0.61 S100A9 (0.55) CCR4S100A9
SCHEMBL16235220 0.59 S100A9 (0.67) CCR4S100A9

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-20220378763-A1 COMPOUND FOR TREATMENT OF ACUTE INFLAMMATION IN THE MYOCARDIUM CALPROTECT AB (SE) 2022-12-01 — — 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-20220378763-A1 COMPOUND FOR TREATMENT OF ACUTE INFLAMMATION IN THE MYOCARDIUM TNNT2, TNNI3, HMGB1 CCR4 2451/4885S100A9 330/4885CCR5 976/4885

“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.

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