SCHEMBL2409241

SCHEMBL2409241

O[C@@H]1[C@@H](Oc2cc(F)ccc2-c2cccnc2)[C@H](O)SC[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.47
CYP11B2 P19099 9/20 0.47
TDO2 P48775 2/20 0.42
CYP17A1 P05093 5/20 0.37
CYP3A4 P08684 2/20 0.36
CYP19A1 P11511 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
GRM5 P41594 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PDK2 Q15119 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRND Q07001 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2409243 0.85 CYP11B1 (0.48) CYP11B1CYP11B2TDO2CYP17A1CYP3A4
SCHEMBL2409246 0.85 CYP11B1 (0.48) CYP11B1CYP11B2TDO2CYP17A1CYP3A4
SCHEMBL2411088 0.72 CHRNB4 (0.46) CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1
SCHEMBL2411085 0.72 CHRNB4 (0.46) CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1
SCHEMBL31663902 0.72 MKNK1 (0.62) CYP11B1CYP11B2TDO2CYP17A1CYP3A4
SCHEMBL2413225 0.71 CYP11B1 (0.43) CYP11B1CYP11B2GRM5
SCHEMBL2413219 0.71 CYP11B1 (0.43) CYP11B1CYP11B2GRM5
SCHEMBL2410652 0.71 CYP11B1 (0.41) CYP11B1CYP11B2TDO2CYP3A4CYP19A1
SCHEMBL2410658 0.71 CYP11B1 (0.41) CYP11B1CYP11B2TDO2CYP3A4CYP19A1
SCHEMBL315265 0.70 HPGDS (0.37) CYP11B1CYP11B2CYP3A4CYP19A1MKNK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 CYP11B1 201/4885CYP11B2 198/4885TDO2 191/4885

“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.