SCHEMBL316545

SCHEMBL316545

Cn1cc(-c2ccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
IRAK1 P51617 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
FGFR3 P22607 2/20 0.35
KDR P35968 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FLT3 P36888 1/20 0.35
GRK5 P34947 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CHEK1 O14757 2/20 0.34
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34

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
SCHEMBL316544 1.00 FYN (0.37) FYNCYP11B1CYP11B2IRAK4IRAK1
SCHEMBL2142633 0.82 RXFP1 (0.44) FYNCYP11B1CHEK1CHRNA7
SCHEMBL2142627 0.82 RXFP1 (0.44) FYNCYP11B1CHEK1CHRNA7
SCHEMBL2140810 0.82 CHRNA7 (0.47) ABL1FLT3PIM1CHRNA7
SCHEMBL2140812 0.82 CHRNA7 (0.47) ABL1FLT3PIM1CHRNA7
SCHEMBL315193 0.81 MTOR (0.33) CHRNA7
SCHEMBL314385 0.81 CHRNA7 (0.37) ABL1CHRNA7
SCHEMBL315194 0.81 MTOR (0.33) CHRNA7
SCHEMBL314384 0.81 CHRNA7 (0.37) ABL1CHRNA7
SCHEMBL314277 0.81 CYP11B1 (0.35) FYNCYP11B1CYP11B2CHRNA7

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 3 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

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 FYN 425/4885CYP11B1 295/4885CYP11B2 261/4885

“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.