SCHEMBL3935490

SCHEMBL3935490

O=C(NC1(C(=O)O)CCSCC1)c1ccc2ccccc2c1OCCOc1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.84
CXCR5 P32302 6/20 0.44
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PYGL P06737 1/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL3936461 0.95 CXCR2 (0.78) CXCR2CXCR5HCRTR1HCRTR2MEN1
SCHEMBL3927933 0.92 CXCR2 (0.96) CXCR2CXCR5HCRTR1HCRTR2PYGL
SCHEMBL3934968 0.92 CXCR2 (1.00) CXCR2CXCR5HCRTR1HCRTR2HDAC3
SCHEMBL3924948 0.85 CXCR2 (0.78) CXCR2CXCR5HCRTR1HCRTR2MEN1
SCHEMBL3926632 0.84 CXCR2 (0.86) CXCR2CXCR5MEN1KMT2AHDAC3
SCHEMBL3928226 0.82 CXCR2 (0.82) CXCR2CXCR5PYGL
SCHEMBL3928162 0.82 CXCR2 (0.82) CXCR2CXCR5MEN1KMT2AHDAC3
SCHEMBL3930646 0.80 CXCR2 (0.70) CXCR2CXCR5MEN1KMT2AHDAC3
SCHEMBL14314020 0.80 CXCR2 (0.59) CXCR2HCRTR1HCRTR2HDAC3HDAC4
SCHEMBL485636 0.79 CXCR2 (0.77) CXCR2CXCR5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US claimed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP claimed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO claimed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS 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-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885CXCR5 5/4885HCRTR1 334/4885

“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.