SCHEMBL485409

SCHEMBL485409

COc1cccc2c(F)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
NFE2L2 Q16236 1/20 0.47
IDO1 P14902 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
EP300 Q09472 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
TNKS O95271 1/20 0.42
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL485265 0.86 IDO1 (0.57) NFE2L2IDO1CA12CA1CA2
SCHEMBL357145 0.85 CA1 (0.61) IDO1CA12CA1CA2CA4
SCHEMBL31116611 0.85 CA1 (0.61) IDO1CA12CA1CA2CA4
SCHEMBL12473426 0.80 CA1 (0.55) IDO1CA12CA1CA2CA4
SCHEMBL15684586 0.79 NFE2L2 (0.38) BCHEACHENFE2L2IDO1CA12
SCHEMBL485405 0.78 KCNN4 (0.40) NFE2L2L3MBTL1TDP1HPGDKDM4E
SCHEMBL29618976 0.77 CES2 (0.43) BCHEACHENFE2L2CA1CA2
SCHEMBL5015496 0.77 CES2 (0.43) BCHEACHENFE2L2CA1CA2
SCHEMBL196734 0.76 CA1 (0.50) BCHEACHENFE2L2CA12CA1
SCHEMBL29387155 0.76 CA1 (0.50) BCHEACHENFE2L2CA12CA1

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 9 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
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN 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
US-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 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 BCHE 3962/4885ACHE 4811/4885NFE2L2 2384/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 BCHE 3962/4885ACHE 4811/4885NFE2L2 2384/4885

“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.