SCHEMBL4111119

SCHEMBL4111119

COC(=O)C1(NC(=O)c2cc(F)c3ccccc3c2O)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.47
CXCR5 P32302 2/20 0.40
ANO1 Q5XXA6 1/20 0.39
DGAT2 Q96PD7 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
P2RX7 Q99572 2/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL485737 0.91 DGAT2 (0.43) CXCR2CXCR5DGAT2KDM4EPOLB
SCHEMBL485831 0.80 DGAT2 (0.42) CXCR2CXCR5DGAT2MEN1POLB
SCHEMBL485755 0.77 KDM4E (0.50) CXCR2DGAT2PKMKDM4EMEN1
SCHEMBL14310375 0.77 CXCR2 (0.44) CXCR2CXCR5CYP2C9
SCHEMBL3312127 0.75 CXCR5 (0.51) CXCR5DGAT2
SCHEMBL5192040 0.74 IDO1 (0.41) ANO1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL3308985 0.74 CXCR5 (0.73) CXCR5
SCHEMBL10290187 0.73 KMT2A (0.49) CXCR2KDM4EMEN1POLBMAPT
SCHEMBL485382 0.72 KMT2A (0.50) CYP2C9KDM4EMEN1NSD2POLB
SCHEMBL485604 0.71 CXCR2 (0.51) CXCR2KDM4EMEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 5/4885ANO1 1426/4885

“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.