SCHEMBL3928331

SCHEMBL3928331

O=C(NC1(C(=O)O)CCC1)c1ccc2ccccc2c1OCCC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.67
CXCR5 P32302 3/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
TACR2 P21452 1/20 0.40
IDH1 O75874 1/20 0.39
PYGL P06737 4/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL3926823 0.95 CXCR2 (0.66) CXCR2CXCR5CNR1CNR2TACR2
SCHEMBL485562 0.90 CXCR2 (0.64) CXCR2CXCR5CNR1CNR2TACR2
SCHEMBL3926632 0.85 CXCR2 (0.86) CXCR2CXCR5PYGLCYP2C9HDAC3
SCHEMBL3926776 0.85 CXCR2 (0.49) CXCR2CXCR5CNR1CNR2
SCHEMBL3936452 0.84 CXCR2 (0.75) CXCR2CXCR5CNR1CNR2TACR2
SCHEMBL3923463 0.83 CXCR2 (0.71) CXCR2CXCR5CNR1CNR2TACR2
SCHEMBL3923187 0.83 CXCR2 (0.53) CXCR2CXCR5CNR1CNR2
SCHEMBL4525598 0.82 CXCR2 (0.67) CXCR2CXCR5TACR2
SCHEMBL485769 0.81 CXCR2 (0.68) CXCR2CXCR5CNR1CNR2TACR2
SCHEMBL3928162 0.80 CXCR2 (0.82) CXCR2CXCR5CNR1CNR2TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US claimed
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 5/4885CNR1 185/4885

“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.