SCHEMBL315522

SCHEMBL315522

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2cnn(C)c2)nc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.36
NTRK3 Q16288 3/20 0.36
NTRK2 Q16620 3/20 0.36
KCNH2 Q12809 2/20 0.36
TTK P33981 2/20 0.34
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
CLK2 P49760 2/20 0.33
CHEK1 O14757 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
FYN P06241 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
TNF P01375 1/20 0.31
STING1 Q86WV6 1/20 0.31
BTK Q06187 1/20 0.31
LRRK2 Q5S007 1/20 0.31
FGFR1 P11362 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
SCHEMBL315523 1.00 NTRK1 (0.36) NTRK1NTRK3NTRK2KCNH2TTK
SCHEMBL3396266 0.86 GRM5 (0.30)
SCHEMBL315518 0.86 GRM5 (0.30)
SCHEMBL315004 0.85 NTMT1 (0.33)
SCHEMBL315005 0.85 NTMT1 (0.33)
SCHEMBL316307 0.84 MAP2K3 (0.32) DYRK1A
SCHEMBL3399091 0.84 MAP2K3 (0.32) DYRK1A
SCHEMBL315432 0.84 PIK3CA (0.32) PIK3CAMTOR
SCHEMBL315433 0.84 PIK3CA (0.32) PIK3CAMTOR
SCHEMBL315519 0.83 FYN (0.35) PIK3CAMTORCLK2CHEK1CLK3

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 NTRK1 4883/4885NTRK3 4834/4885NTRK2 4873/4885

“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.