SCHEMBL485691

SCHEMBL485691

CC[C@@](C)(NC(=O)c1cc(Cl)c2ccccc2c1OCc1ccc(C(F)(F)F)nc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.44
KDM4E B2RXH2 2/20 0.40
P2RX7 Q99572 5/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.38
PPARD Q03181 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
GRM2 Q14416 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ERAP1 Q9NZ08 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ACACB O00763 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
SCHEMBL484962 1.00 CXCR2 (0.44) CXCR2KDM4EP2RX7ALDH1A1CYP1A2
SCHEMBL484963 1.00 CXCR2 (0.44) CXCR2KDM4EP2RX7ALDH1A1CYP1A2
SCHEMBL485383 0.90 CXCR2 (0.45) CXCR2KDM4EP2RX7ALDH1A1CYP1A2
SCHEMBL485486 0.90 CXCR2 (0.45) CXCR2KDM4EP2RX7ALDH1A1CYP1A2
SCHEMBL485820 0.90 CXCR2 (0.45) CXCR2KDM4EP2RX7ALDH1A1CYP1A2
SCHEMBL485513 0.90 CXCR2 (0.45) CXCR2KDM4EP2RX7ALDH1A1CYP1A2
SCHEMBL485303 0.90 KDM4E (0.52) CXCR2KDM4EP2RX7ALDH1A1CYP1A2
SCHEMBL10290148 0.90 CXCR2 (0.44) CXCR2KDM4EP2RX7ALDH1A1CYP1A2
SCHEMBL485514 0.88 CXCR2 (0.57) CXCR2KDM4EPPARDMRGPRX4ERAP1
SCHEMBL484987 0.86 CXCR2 (0.60) CXCR2KDM4EP2RX7ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US claimed
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 claimed
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 claimed
EP-1676834-A1 Fused bicyclic carboxamide derivates for use as CXCR2 inhibitors in the treatment of inflammation Sanofi-Aventis Deutschland GmbH (DE) 2006-07-05 EP claimed
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
EP-1676834-A1 Fused bicyclic carboxamide derivates for use as CXCR2 inhibitors in the treatment of inflammation Sanofi-Aventis Deutschland GmbH (DE) 2006-07-05 EP 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 CXCR2 1/4885KDM4E 3892/4885P2RX7 60/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885KDM4E 3892/4885P2RX7 60/4885

“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.