SCHEMBL316525

SCHEMBL316525

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(C)nc1-c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
CYP3A4 P08684 5/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
CYP1A2 P05177 3/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARD Q03181 1/20 0.31
NTMT1 Q9BV86 1/20 0.31
MKNK1 Q9BUB5 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
SCHEMBL3397016 1.00 CYP2A6 (0.34) CYP2A6KDM4EALDH1A1MAPTCDC7
SCHEMBL316447 0.88
SCHEMBL3401195 0.88
SCHEMBL315759 0.87 CYP11B1 (0.37) CYP2A6KDM4EALDH1A1MAPTCYP3A4
SCHEMBL315758 0.87 CYP11B1 (0.37) CYP2A6KDM4EALDH1A1MAPTCYP3A4
SCHEMBL316661 0.84 MKNK1 (0.36) CYP2A6KDM4EALDH1A1MAPTCYP3A4
SCHEMBL2410997 0.84 CHRNB4 (0.42) CYP2A6ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL316662 0.84 MKNK1 (0.36) CYP2A6KDM4EALDH1A1MAPTCYP3A4
SCHEMBL2411000 0.84 CHRNB4 (0.42) CYP2A6ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL314785 0.83 NPC1 (0.36) CYP2A6KDM4EALDH1A1MAPTCYP3A4

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 CYP2A6 158/4885KDM4E 1220/4885ALDH1A1 676/4885

“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.