SCHEMBL485541

SCHEMBL485541

COc1c(C=O)cc(F)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.58
ERN1 O75460 4/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL18517642 0.85 MCL1 (0.72) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL30855494 0.85 MCL1 (0.72) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL1506977 0.82 MCL1 (0.58) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL31346762 0.82 MCL1 (0.58) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL1774098 0.81 MCL1 (0.57) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL24101651 0.77 MCL1 (0.53) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL24101491 0.76 KDM4E (0.52) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL11239147 0.75 ERN1 (0.73) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL1002837 0.75 MCL1 (0.68) MCL1ERN1ALDH1A1KDM4EMAPK1
SCHEMBL10391368 0.74 MCL1 (0.66) MCL1ERN1ALDH1A1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 EP disclosed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
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-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
CN-101478962-A Novel CXCR2 inhibitors SANOFI AVENTIS (FR) 2009-07-08 CN disclosed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
EP-2040690-A1 INHIBITORS OF CXCR2 Sanofi-Aventis (FR) 2009-04-01 EP disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed
WO-2008000407-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2008-01-03 WO 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 (4 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 MCL1 1834/4885ERN1 3266/4885ALDH1A1 1443/4885
US-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 MCL1 1994/4885ERN1 3364/4885ALDH1A1 2011/4885
US-20090215827-A1 INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR4 MCL1 1896/4885ERN1 3133/4885ALDH1A1 1690/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 MCL1 1834/4885ERN1 3266/4885ALDH1A1 1443/4885

“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.