SCHEMBL3608561

SCHEMBL3608561

CCCC(=O)Oc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 15/20 0.61
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.52
DCLK1 O15075 1/20 0.50
FES P07332 1/20 0.50
PIM1 P11309 1/20 0.50
CDK2 P24941 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
IRAK1 P51617 1/20 0.50
MAP4K2 Q12851 1/20 0.50
NTRK3 Q16288 1/20 0.50
HIPK4 Q8NE63 1/20 0.50
AURKB Q96GD4 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50

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
SCHEMBL15112843 0.90 CSNK1D (0.71) CSNK1DGAAMAPTLMNADCLK1
SCHEMBL15489035 0.84 CSNK1D (0.68) CSNK1DLMNADCLK1FESPIM1
SCHEMBL15063115 0.82 MAPT (0.80) CSNK1DGAAMAPTNPC1TSHR
SCHEMBL29351327 0.82 MAPT (0.80) CSNK1DGAAMAPTNPC1TSHR
SCHEMBL20863027 0.81 CSNK1D (0.65) CSNK1DDCLK1FESPIM1CDK2
SCHEMBL15063116 0.81 MAPT (0.71) CSNK1DGAAMAPTNPC1TSHR
SCHEMBL15062757 0.80 MAPT (0.70) CSNK1DGAAMAPTNPC1TSHR
SCHEMBL15063124 0.80 MAPT (0.69) CSNK1DGAAMAPTNPC1TSHR
SCHEMBL17287759 0.80 CSNK1D (0.88) CSNK1DDCLK1FESPIM1CDK2
SCHEMBL3608199 0.80 MEN1 (0.68) MAPTTSHRRAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 CSNK1D 1260/4885GAA 1303/4885MAPT 2371/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 CSNK1D 2977/4885GAA 2695/4885MAPT 4596/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 CSNK1D 1381/4885GAA 1417/4885MAPT 2338/4885

“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.