SCHEMBL485592

SCHEMBL485592

COC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1/C=C/c1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
CNR2 P34972 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CXCR2 P25025 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
EGFR P00533 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL485593 1.00 BACE1 (0.40) BACE1CNR2ABCG2CYP1A1CYP1B1
SCHEMBL485536 0.90 CYP1A1 (0.46) BACE1CNR2ABCG2CYP1A1CYP1B1
SCHEMBL485116 0.90 CXCR2 (0.44) ABCG2CYP1A1CYP1B1CXCR2KDM4E
SCHEMBL485118 0.90 CXCR2 (0.44) ABCG2CYP1A1CYP1B1CXCR2KDM4E
SCHEMBL485538 0.90 CYP1A1 (0.46) BACE1CNR2ABCG2CYP1A1CYP1B1
SCHEMBL27713181 0.83 CXCR2 (0.46) BACE1CXCR2KDM4EMAPK1EGFR
SCHEMBL485559 0.79 ABCG2 (0.51) BACE1ABCG2CYP1A1CYP1B1CXCR2
SCHEMBL485561 0.79 ABCG2 (0.51) BACE1ABCG2CYP1A1CYP1B1CXCR2
SCHEMBL27712956 0.79 CXCR2 (0.49) ABCG2CYP1A1CYP1B1CXCR2CYP2C19
SCHEMBL485549 0.79 CXCR2 (0.48) BACE1ABCG2CYP1A1CYP1B1CXCR2

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 BACE1 3022/4885CNR2 204/4885ABCG2 193/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 BACE1 3022/4885CNR2 204/4885ABCG2 193/4885

“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.