SCHEMBL315596

SCHEMBL315596

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccnc2-c2ccncc2)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 6/20 0.34
HPGD P15428 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL315595 1.00 CYP11B1 (0.35) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL2142546 0.93 KDM4E (0.34) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL2142538 0.93 KDM4E (0.34) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL316756 0.91 KDM4E (0.32) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL316757 0.91 KDM4E (0.32) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2141735 0.91 CACNA1B (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2141743 0.91 CACNA1B (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL315758 0.90 CYP11B1 (0.37) CYP11B1CYP11B2KDM4EALDH1A1CYP1A2
SCHEMBL315759 0.90 CYP11B1 (0.37) CYP11B1CYP11B2KDM4EALDH1A1CYP1A2
SCHEMBL2142056 0.87 SLC22A12 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A

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 CYP11B1 295/4885CYP11B2 261/4885KDM4E 1220/4885

“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.