SCHEMBL212454

SCHEMBL212454

CCC[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2[nH]c(=O)sc12

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.81
CX3CR1 P49238 17/20 0.81
ADORA1 P30542 1/20 0.53
HTR1B P28222 1/20 0.45

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
SCHEMBL213766 0.90 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL212748 0.90 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL213886 0.90 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL4129653 0.90 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL214542 0.89 CXCR2 (0.70) CXCR2CX3CR1HTR1B
SCHEMBL212918 0.87 CXCR2 (0.75) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL211990 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL1860231 0.86 CXCR2 (0.70) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL5438905 0.84 CXCR2 (0.85) CXCR2CX3CR1HTR1B
SCHEMBL213575 0.83 CXCR2 (0.62) CXCR2CX3CR1HTR1B

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
US-8088780-B2 5,7-disubstituted thiazolo[4,5-D]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2012-01-03 US claimed
US-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 ASTRAZENECA AB (SE) 2009-05-14 US claimed
US-8088780-B2 5,7-disubstituted thiazolo[4,5-D]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2012-01-03 US disclosed
US-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 ASTRAZENECA AB (SE) 2009-05-14 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-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 CX3CR1, CCR2, CCR5 CXCR2 5/4885CX3CR1 1/4885ADORA1 85/4885

“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.