SCHEMBL485405

SCHEMBL485405

COCOc1cccc2c(F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.37
HTR1B P28222 5/20 0.37
TP53 P04637 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NFE2L2 Q16236 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL485292 0.89 GPR84 (0.44) KCNN4L3MBTL1TDP1HTR1BGPR84
SCHEMBL29381303 0.81 L3MBTL1 (0.42) KCNN4L3MBTL1TDP1PTPN1NFE2L2
SCHEMBL20608004 0.81 L3MBTL1 (0.42) KCNN4L3MBTL1TDP1PTPN1NFE2L2
SCHEMBL29617898 0.80 L3MBTL1 (0.58) KCNN4L3MBTL1TDP1ALDH1A1NFE2L2
SCHEMBL12772061 0.80 L3MBTL1 (0.58) KCNN4L3MBTL1TDP1ALDH1A1NFE2L2
SCHEMBL21262585 0.79 PTPN1 (0.41) KCNN4L3MBTL1TDP1PTPN1TP53
SCHEMBL12454829 0.79 CYP1A2 (0.50) PTPN1HTR1BHTR1DALDH1A1SMN1; SMN2
SCHEMBL30417463 0.79 PTPN1 (0.41) KCNN4L3MBTL1TDP1PTPN1TP53
SCHEMBL21737235 0.79 KCNN4 (0.39) KCNN4L3MBTL1TDP1PTPN1ALDH1A1
SCHEMBL31166945 0.78 PTPN1 (0.42) KCNN4L3MBTL1TDP1PTPN1ALDH1A1

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 8 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

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 KCNN4 4362/4885L3MBTL1 2613/4885TDP1 2080/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KCNN4 4362/4885L3MBTL1 2613/4885TDP1 2080/4885

“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.