SCHEMBL485818

SCHEMBL485818

COC(=O)C(C)NC(=O)c1ccc2ccccc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.50
RECQL P46063 1/20 0.45
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TACR3 P29371 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ELANE P08246 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BCL2L1 Q07817 1/20 0.41

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
SCHEMBL485817 1.00 NCEH1 (0.50) NCEH1RECQLCNR2CNR1MAPT
SCHEMBL485830 0.87 TACR3 (0.55) NCEH1CNR2CNR1MEN1KMT2A
SCHEMBL485832 0.87 TACR3 (0.55) NCEH1CNR2CNR1MEN1KMT2A
SCHEMBL27564118 0.77 ALDH1A1 (0.57) MAPTL3MBTL1MEN1KMT2AHPGD
SCHEMBL15505756 0.76 PLK1 (0.64) NCEH1MAPTMEN1KMT2AHPGD
SCHEMBL2606588 0.76 NCEH1 (0.53) NCEH1MAPTMEN1KMT2AHPGD
SCHEMBL485110 0.76 CNR2 (0.44) NCEH1CNR2MAPTHPGDKDM4E
SCHEMBL7413948 0.74 NCEH1 (0.43) NCEH1MAPTMEN1KMT2AKDM4E
SCHEMBL4831511 0.73 MEN1 (0.55) RECQLMAPTMEN1KMT2AAPOBEC3G
SCHEMBL14504216 0.73 MMP3 (0.44) NCEH1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-7919628-B2 2-[(1-Benzyloxy-naphthalene-2-carbonyl)-amino]-2-methyl-propionic acid; inhibitors of chemokine receptors; treatment or prophylaxis of acute and chronic inflammatory diseases such as atherosclerosis, ischemic or reperfusion injuries, chronic obstructive pulmonary disease, asthma, rheumatoid arthritis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-05 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 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 (2 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 NCEH1 1275/4885RECQL 1806/4885CNR2 204/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 NCEH1 1275/4885RECQL 1806/4885CNR2 204/4885

“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.