SCHEMBL3926052

SCHEMBL3926052

O=C(NC1(C(=O)O)CCOCC1)c1cc(F)c2ccccc2c1OCc1ccc(SC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 1.00
CXCR5 P32302 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MMP1 P03956 5/20 0.36
MMP13 P45452 5/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
PTPRZ1 P23471 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KCNK2 O95069 2/20 0.34
KCNK10 P57789 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL3930274 0.89 CXCR2 (0.80) CXCR2CXCR5CYP4F2CYP4A11MMP1
SCHEMBL15911883 0.88 CXCR2 (0.79) CXCR2MMP1MMP13MMP2MMP3
SCHEMBL485624 0.84 CXCR2 (0.72) CXCR2CXCR5PTPRZ1PPARGPPARD
SCHEMBL485489 0.84 CXCR2 (0.72) CXCR2CXCR5PTPRZ1PPARGPPARD
SCHEMBL485166 0.81 CXCR2 (0.69) CXCR2CXCR5PPARDPPARAPTPN1
SCHEMBL485250 0.80 CXCR2 (0.67) CXCR2CXCR5PTPRZ1KCNK2KCNK10
SCHEMBL485653 0.80 CXCR2 (0.67) CXCR2CXCR5PTPRZ1PPARGPPARD
SCHEMBL484994 0.79 CXCR2 (0.65) CXCR2PTPRZ1PPARGPPARDPPARA
SCHEMBL3924703 0.78 CXCR2 (0.64) CXCR2CXCR5PTPRZ1PPARGPPARD
SCHEMBL485279 0.77 CXCR2 (0.62) CXCR2CXCR5CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 EP claimed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US claimed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US claimed
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 EP disclosed
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 EP disclosed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
EP-2040690-A1 INHIBITORS OF CXCR2 Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008000407-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed
WO-2008000407-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2008-01-03 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 (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-20090215827-A1 INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR4 CXCR2 1/4885CXCR5 5/4885CYP4F2 1464/4885

“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.