SCHEMBL4020541

SCHEMBL4020541

CC(C)(C)CNC(=O)c1ccccc1SCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.59
KMT2A Q03164 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 3/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 5/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL4016000 0.83 KDR (0.60) KDRKMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL1941445 0.81 KMT2A (0.49) KDRKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL4015708 0.79 KDR (0.73) KDRKMT2AL3MBTL1HSD17B10POLB
SCHEMBL4019848 0.78 PTPRC (0.47) KDRKMT2AL3MBTL1ALDH1A1POLB
SCHEMBL4021020 0.77 KDR (0.60) KDRKMT2AL3MBTL1ALDH1A1POLB
SCHEMBL4015093 0.77 KDR (0.78) KDRKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL4017457 0.76 KDR (0.69) KDRKMT2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL4021315 0.75 KDR (0.75) KDRHSD17B10POLBALOX15MAPT
SCHEMBL4019386 0.74 KDR (1.00) KDRKMT2AL3MBTL1MAPK1HSD17B10
SCHEMBL4017225 0.74 KDR (0.73) KDRKMT2AL3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1602647-A1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-12-07 EP 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 (3 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-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent FLT4, FLT1, KDR KDR 3/4885KMT2A 3529/4885L3MBTL1 3287/4885
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent FLT1, FLT4, PYM1 KDR 5/4885KMT2A 3586/4885L3MBTL1 2439/4885
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT FLT1, PYM1, FLT4 KDR 6/4885KMT2A 3325/4885L3MBTL1 2085/4885

“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.