SCHEMBL314759

SCHEMBL314759

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2cccnc2Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.32
CTSA P10619 1/20 0.31
CYP11B2 P19099 2/20 0.31
DHODH Q02127 1/20 0.31
PIP4K2A P48426 2/20 0.30
PIP4K2C Q8TBX8 2/20 0.30
SCN2A Q99250 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 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
SCHEMBL3395741 1.00 ABL1 (0.32) ABL1CTSACYP11B2DHODHPIP4K2A
SCHEMBL3400440 0.90 ABL1 (0.36) ABL1CYP11B2DHODHPDE10ACHRNB1
SCHEMBL315015 0.90 ABL1 (0.36) ABL1CYP11B2DHODHPDE10ACHRNB1
SCHEMBL315735 0.89 CHRNB2 (0.36) ABL1CYP11B2PDE10ACHRNB2
SCHEMBL3400655 0.89 CHRNB2 (0.36) ABL1CYP11B2PDE10ACHRNB2
SCHEMBL2409949 0.89 RXFP1 (0.36) CTSADHODH
SCHEMBL2409951 0.89 RXFP1 (0.36) CTSADHODH
SCHEMBL3395247 0.88 ABL1 (0.43) ABL1DHODHPDE10ACHRNB4CHRNA3
SCHEMBL314697 0.88 ABL1 (0.43) ABL1DHODHPDE10ACHRNB4CHRNA3
SCHEMBL3398348 0.87 CYP11B2 (0.33) CYP11B2

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 1574/4885CTSA 4127/4885CYP11B2 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.