SCHEMBL316422

SCHEMBL316422

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2cccnc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CYP2A6 P11509 3/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GRM5 P41594 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FYN P06241 1/20 0.33
KMO O15229 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP19A1 P11511 2/20 0.32

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
SCHEMBL316423 1.00 CYP3A4 (0.38) CYP3A4CYP2A6CYP11B1CYP11B2NPC1
SCHEMBL314637 0.91 CHRNA7 (0.32)
SCHEMBL314638 0.91 CHRNA7 (0.32)
SCHEMBL315133 0.90 CHRNA7 (0.33) CYP11B1CYP11B2GRM5FYN
SCHEMBL315134 0.90 CHRNA7 (0.33) CYP11B1CYP11B2GRM5FYN
SCHEMBL2410659 0.89 CYP19A1 (0.38) CYP3A4CYP2A6CYP11B1CYP11B2NPC1
SCHEMBL2410664 0.89 CYP19A1 (0.38) CYP3A4CYP2A6CYP11B1CYP11B2NPC1
SCHEMBL1972019 0.87 CHRNB2 (0.35) ALDH1A1KDM4EABCB1
SCHEMBL1976002 0.87 CHRNB2 (0.35) ALDH1A1KDM4EABCB1
SCHEMBL314752 0.87 CYP2A6 (0.39) CYP3A4CYP2A6CYP11B1CYP11B2NPC1

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 CYP3A4 126/4885CYP2A6 158/4885CYP11B1 295/4885

“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.