SCHEMBL2408041

SCHEMBL2408041

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(Cl)c(-c3cccnc3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
CYP11B2 P19099 5/20 0.38
FFAR4 Q5NUL3 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYP11B1 P15538 3/20 0.35
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL2408038 1.00 ABL1 (0.38) ABL1CYP11B2FFAR4THRATHRB
SCHEMBL2411071 0.86 CYP11B1 (0.39) ABL1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL2411065 0.86 CYP11B1 (0.39) ABL1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL2410664 0.86 CYP19A1 (0.38) ABL1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL2410659 0.86 CYP19A1 (0.38) ABL1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL2415380 0.85 MKNK1 (0.40) CYP11B2CYP11B1CYP17A1CYP1A2MKNK1
SCHEMBL2415378 0.85 MKNK1 (0.40) CYP11B2CYP11B1CYP17A1CYP1A2MKNK1
SCHEMBL2407924 0.85 KDM4E (0.35) CYP11B2CYP11B1CYP17A1CYP3A4CYP1A2
SCHEMBL2407918 0.85 KDM4E (0.35) CYP11B2CYP11B1CYP17A1CYP3A4CYP1A2
SCHEMBL314752 0.85 CYP2A6 (0.39) ABL1CYP11B2CYP11B1CYP3A4CYP1A2

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 ABL1 2708/4885CYP11B2 198/4885FFAR4 3831/4885

“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.