SCHEMBL485884

SCHEMBL485884

CC(C)(C#N)NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)nc1.CC(C)(N)C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.49
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
CSF1R P07333 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KCNH2 Q12809 1/20 0.33
ITK Q08881 2/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL485212 0.97 CXCR2 (0.52) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL4585638 0.89 CXCR2 (0.45) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL485481 0.84 CXCR2 (0.58) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL10289384 0.82 CXCR2 (0.50) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL485216 0.82 CXCR2 (0.60) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL485055 0.82 CXCR2 (0.51) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL485697 0.82 CXCR2 (0.60) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL484987 0.82 CXCR2 (0.60) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL485073 0.81 CXCR2 (0.61) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL485238 0.80 CXCR2 (0.49) CXCR2LMNAKDM4EALDH1A1GAA

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 3 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 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

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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885LMNA 4616/4885KDM4E 3892/4885

“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.