SCHEMBL3185804

SCHEMBL3185804

C[C@@H](Nc1cc(Cl)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.58
CXCR1 P25024 1/20 0.50
CCR7 P32248 2/20 0.48

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
SCHEMBL13538310 1.00 CXCR2 (0.58) CXCR2CXCR1CCR7
Azd-5122 SCHEMBL3180355 0.80 CXCR2 (0.83) CXCR2CXCR1
Azd-5122 SCHEMBL29393328 0.80 CXCR2 (0.83) CXCR2CXCR1
Azd-5122 SCHEMBL3183036 0.80 CXCR2 (0.83) CXCR2CXCR1
SCHEMBL13528031 0.80 CXCR2 (0.62) CXCR2CXCR1CCR7
Azd-5122 SCHEMBL13538314 0.80 CXCR2 (0.83) CXCR2CXCR1
Azd-5122 SCHEMBL20452735 0.80 CXCR2 (0.83) CXCR2CXCR1
Azd-5122 SCHEMBL3171248 0.80 CXCR2 (0.83) CXCR2CXCR1
Azd-5122 SCHEMBL3180319 0.80 CXCR2 (0.83) CXCR2CXCR1
SCHEMBL490032 0.78 CXCR2 (0.47) CXCR2CCR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007427-A1 PYRIMIDYL SULFONAMINDE DERIVATIVE AND ITS USE FOR THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-01-21 WO disclosed
US-20100016275-A1 NOVEL COMPOUND 395 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016275-A1 NOVEL COMPOUND 395 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016275-A1 NOVEL COMPOUND 395 ASTRAZENECA AB (SE) 2010-01-21 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-20100016275-A1 NOVEL COMPOUND 395 CCL5, CCL2, CCL11 CXCR2 5/4885CXCR1 7/4885CCR7 15/4885

“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.