SCHEMBL1860231

SCHEMBL1860231

CCC[C@H](CO)Nc1nc(S[C@@H](C)c2ccc(Cl)nc2)nc2[nH]c(=O)sc12

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.70
CX3CR1 P49238 16/20 0.70
HTR1B P28222 1/20 0.44
ADORA1 P30542 1/20 0.39

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
SCHEMBL212454 0.86 CXCR2 (0.81) CXCR2CX3CR1HTR1BADORA1
SCHEMBL12621609 0.83 CXCR2 (0.49) CXCR2CX3CR1HTR1B
SCHEMBL2106415 0.82 CX3CR1 (0.65) CXCR2CX3CR1ADORA1
SCHEMBL12022773 0.82 CXCR2 (0.48) CXCR2CX3CR1HTR1B
SCHEMBL1858040 0.82 CXCR2 (0.48) CXCR2CX3CR1HTR1B
SCHEMBL212918 0.79 CXCR2 (0.75) CXCR2CX3CR1HTR1BADORA1
SCHEMBL211990 0.79 CXCR2 (1.00) CXCR2CX3CR1HTR1BADORA1
SCHEMBL214542 0.79 CXCR2 (0.70) CXCR2CX3CR1HTR1B
SCHEMBL12022739 0.78 CXCR2 (0.62) CXCR2CX3CR1HTR1B
SCHEMBL213575 0.78 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069364-B1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-14 EP claimed
US-7960395-B2 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2011-06-14 US claimed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US claimed
EP-2069364-B1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-14 EP disclosed
EP-2069364-B1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-14 EP disclosed
US-7960395-B2 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960395-B2 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960395-B2 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20110105537-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES FOR THE SELECTIVE INHIBITION OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2011-05-05 US disclosed
US-20110105537-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES FOR THE SELECTIVE INHIBITION OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2011-05-05 US disclosed
US-20110105537-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES FOR THE SELECTIVE INHIBITION OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2011-05-05 US disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008039138-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3 ] THIAZOLO [4, 5-D] PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2008-04-03 WO 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 (2 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-20080318981-A1 Novel Compounds 480 CX3CR1, CCR2, CXCR3 CXCR2 6/4885CX3CR1 1/4885HTR1B 1090/4885
US-20110105537-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES FOR THE SELECTIVE INHIBITION OF CHEMOKINE RECEPTORS CX3CR1, CCR2, CXCR3 CXCR2 5/4885CX3CR1 1/4885HTR1B 1201/4885

“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.