SCHEMBL2411969

SCHEMBL2411969

O[C@@H]1[C@@H](O)[C@@H](Oc2ccc(-c3ccncc3)cc2F)SC[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.40
CYP11B2 P19099 7/20 0.35
CYP11B1 P15538 6/20 0.35
CYP3A4 P08684 6/20 0.35
CYP19A1 P11511 2/20 0.34
ABCB1 P08183 2/20 0.34
ABCC1 P33527 1/20 0.33
QDPR P09417 1/20 0.32
PDK2 Q15119 1/20 0.32
MET P08581 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
KDM1A O60341 1/20 0.30
CSF1R P07333 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
SCHEMBL2411966 1.00 CYP17A1 (0.40) CYP17A1CYP11B2CYP11B1CYP3A4CYP19A1
SCHEMBL2407848 0.87 CYP17A1 (0.32) CYP17A1CYP11B2CYP11B1CYP3A4CYP19A1
SCHEMBL2407847 0.87 CYP17A1 (0.32) CYP17A1CYP11B2CYP11B1CYP3A4CYP19A1
SCHEMBL2412977 0.86 ABCB1 (0.39) CYP11B2CYP11B1ABCB1ABCC1PDK2
SCHEMBL2412970 0.86 ABCB1 (0.39) CYP11B2CYP11B1ABCB1ABCC1PDK2
SCHEMBL2413272 0.83 DYRK1A (0.36) QDPR
SCHEMBL2413268 0.83 DYRK1A (0.36) QDPR
SCHEMBL2416182 0.82 ERN1 (0.34)
SCHEMBL2416188 0.82 ERN1 (0.34)
SCHEMBL316023 0.82 PDGFRB (0.33) CYP3A4

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 4 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
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 WO 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 CYP17A1 403/4885CYP11B2 198/4885CYP11B1 201/4885

“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.