SCHEMBL654470

SCHEMBL654470

CCCC[Sn](CCCC)(CCCC)c1ccc(C=O)o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
STAT1 P42224 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
EPHX2 P34913 1/20 0.31
CTRC Q99895 1/20 0.30
DNMT1 P26358 1/20 0.30

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
SCHEMBL3361342 0.81 CTRC (0.33) CTRC
SCHEMBL1098786 0.74 TDP1 (0.39) TSHRMAPTPOLBHPGDCTRC
SCHEMBL1515036 0.74 CTRC (0.30) CTRC
SCHEMBL17372500 0.73 ALOX5 (0.32) ALDH1A1GAA
SCHEMBL3370665 0.73
SCHEMBL14324289 0.71 POLB (0.50) ALDH1A1HTTL3MBTL1SMN1; SMN2NPC1
SCHEMBL6389139 0.71 GAA (0.47) ALDH1A1HTTL3MBTL1GAATSHR
SCHEMBL8635202 0.71 ALDH1A1 (0.57) ALDH1A1HTTL3MBTL1GAATSHR
SCHEMBL1098333 0.70 MEN1 (0.31)
SCHEMBL625752 0.69 ALDH1A1 (0.55) ALDH1A1HTTL3MBTL1GAATSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-7935688-B2 Vitamin D-like compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-05-03 US disclosed
US-20110060146-A1 VITAMIN-D-LIKE COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-10 US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
EP-1523485-B1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-14 EP disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
US-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 US disclosed
EP-1523485-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-20 EP disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
WO-2004007499-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 WO disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed
EP-1204665-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
WO-2001009138-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-1998053790-A2 COMPOUNDS THAT INHIBIT THE BINDING OF VASCULAR ENDOTHELIAL GROWTH FACTOR TO ITS RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-12-03 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 (8 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-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors GRK3, GRK4, GRK6 ALDH1A1 4096/4885HTT 1729/4885L3MBTL1 2989/4885
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 ALDH1A1 3606/4885HTT 3354/4885L3MBTL1 2042/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 ALDH1A1 2010/4885HTT 4366/4885L3MBTL1 3786/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 ALDH1A1 2146/4885HTT 4355/4885L3MBTL1 4007/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 ALDH1A1 2146/4885HTT 4355/4885L3MBTL1 4007/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 ALDH1A1 1086/4885HTT 4583/4885L3MBTL1 4150/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 ALDH1A1 2146/4885HTT 4355/4885L3MBTL1 4007/4885
US-20110060146-A1 VITAMIN-D-LIKE COMPOUNDS VDR, CYP24A1, CYP2R1 ALDH1A1 3720/4885HTT 3767/4885L3MBTL1 4056/4885

“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.