SCHEMBL3924973

SCHEMBL3924973

O=C(NC1(C(=O)O)CCSC1)c1ccc2ccccc2c1OCc1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.47
NPC1 O15118 4/20 0.43
ALOX5 P09917 5/20 0.41
EPHX2 P34913 5/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CXCR5 P32302 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
SCHEMBL3934327 0.95 CXCR2 (0.50) CXCR2NPC1ALOX5EPHX2RAB9A
SCHEMBL485628 0.90 CXCR2 (0.58) CXCR2NPC1ALOX5EPHX2RAB9A
SCHEMBL484358 0.90 CXCR2 (0.56) CXCR2NPC1ALOX5EPHX2RAB9A
SCHEMBL15911885 0.85 ALOX5 (0.45) CXCR2NPC1ALOX5EPHX2RAB9A
SCHEMBL27693205 0.80 NPC1 (0.43) CXCR2NPC1ALOX5EPHX2RAB9A
SCHEMBL3925811 0.79 CXCR2 (0.47) CXCR2NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL486027 0.78 MAOB (0.50) NPC1ALOX5EPHX2RAB9ASMN1; SMN2
SCHEMBL485013 0.78 CXCR2 (0.51) CXCR2NPC1ALOX5EPHX2RAB9A
SCHEMBL3936363 0.77 CXCR2 (0.52) CXCR2CXCR5
SCHEMBL485680 0.77 CXCR2 (0.52) CXCR2NPC1ALOX5EPHX2RAB9A

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 16 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-A1 INHIBITORS OF CXCR2 Sanofi-Aventis (FR) 2009-04-01 EP claimed
WO-2008000407-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2008-01-03 WO 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 1/4885NPC1 1229/4885ALOX5 2222/4885

“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.