SCHEMBL485751

SCHEMBL485751

CC(C)(NC(=O)c1cc(F)c2ccccc2c1O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
CXCR2 P25025 4/20 0.45
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
ERAP1 Q9NZ08 3/20 0.40
IMPDH2 P12268 1/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
ATIC P31939 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
MCL1 Q07820 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL485613 0.86 KDM4E (0.54) KDM4ECXCR2POLBAPEX1IMPDH2
SCHEMBL28766910 0.84 KDM4E (0.52) KDM4ECXCR2POLBAPEX1ERAP1
SCHEMBL27693304 0.84 KDM4E (0.52) KDM4EPOLBAPEX1IMPDH2HSD17B10
SCHEMBL27713191 0.83 KDM4E (1.00) KDM4ECXCR2POLBAPEX1ERAP1
SCHEMBL27713027 0.82 KDM4E (0.49) KDM4ECXCR2POLBAPEX1IMPDH2
SCHEMBL28442666 0.77 GAA (0.58) KDM4EHPGDCYP2C9ALOX12MEN1
SCHEMBL485239 0.77 KDM4E (0.63) KDM4ECXCR2MEN1MAPTKMT2A
SCHEMBL484864 0.77 KDM4E (0.44) KDM4ECXCR2POLBAPEX1ERAP1
SCHEMBL484865 0.77 KDM4E (0.44) KDM4ECXCR2POLBAPEX1ERAP1
SCHEMBL485545 0.77 KDM4E (0.44) KDM4ECXCR2POLBAPEX1ERAP1

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 7 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
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 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 (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 KDM4E 3892/4885CXCR2 1/4885POLB 3166/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885CXCR2 1/4885POLB 3166/4885

“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.