SCHEMBL315561

SCHEMBL315561

Cc1nc(C)c(-c2ccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)cn2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.38
COMT P21964 5/20 0.35
CDK4 P11802 2/20 0.34
CDK2 P24941 2/20 0.34
CCNE1 P24864 1/20 0.34
POLB P06746 4/20 0.33
OPRM1 P35372 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLK1 P53350 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL315560 1.00 TRPV4 (0.38) TRPV4COMTCDK4CDK2CCNE1
SCHEMBL314939 0.82 MAPK1 (0.34) MAPK1ALOX5AP
SCHEMBL314940 0.82 MAPK1 (0.34) MAPK1ALOX5AP
SCHEMBL3994997 0.80
SCHEMBL2140812 0.79 CHRNA7 (0.47) NPSR1
SCHEMBL2140810 0.79 CHRNA7 (0.47) NPSR1
SCHEMBL314385 0.78 CHRNA7 (0.37) MEN1KMT2A
SCHEMBL314384 0.78 CHRNA7 (0.37) MEN1KMT2A
SCHEMBL1973288 0.78 CHRM4 (0.35) KMT2A
SCHEMBL1973290 0.78 CHRM4 (0.35) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US disclosed
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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 (1 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX TRPV4 3648/4885COMT 528/4885CDK4 1943/4885

“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.