SCHEMBL314834

SCHEMBL314834

Cc1nn(C)c(C)c1-c1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
KDR P35968 2/20 0.33
POLB P06746 1/20 0.33
TNF P01375 1/20 0.33
FFAR1 O14842 1/20 0.31
CHRNA7 P36544 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
SCHEMBL314835 1.00 ABL1 (0.35) ABL1BCRFGFR1FGFR2FGFR4
SCHEMBL2410894 0.80 HTR7 (0.40) POLBFFAR1
SCHEMBL314211 0.80 BRD4 (0.36) POLBFFAR1
SCHEMBL314212 0.80 BRD4 (0.36) POLBFFAR1
SCHEMBL2410899 0.80 HTR7 (0.40) POLBFFAR1
SCHEMBL314939 0.79 MAPK1 (0.34) ABL1CHRNA7
SCHEMBL315465 0.79 AURKA (0.35)
SCHEMBL315464 0.79 AURKA (0.35)
SCHEMBL314940 0.79 MAPK1 (0.34) ABL1CHRNA7
SCHEMBL2140812 0.78 CHRNA7 (0.47) ABL1CHRNA7

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 ABL1 1574/4885BCR 3624/4885FGFR1 3476/4885

“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.