SCHEMBL2409988

SCHEMBL2409988

Cc1cc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc(C)c1-c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2E1 P05181 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2B6 P20813 2/20 0.36
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
MAOA P21397 1/20 0.36
ACLY P53396 2/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
KCNA3 P22001 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
POLB P06746 1/20 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
SCHEMBL2409991 1.00 CYP2A6 (0.36) CYP2A6CYP3A4CYP2C19CYP2E1CYP2D6
SCHEMBL2409539 0.86 MAOA (0.31) MAOA
SCHEMBL2409537 0.86 MAOA (0.31) MAOA
SCHEMBL315252 0.82 CHRNB1 (0.40) CYP2A6CYP3A4CYP11B1CYP11B2ALDH1A1
SCHEMBL315253 0.82 CHRNB1 (0.40) CYP2A6CYP3A4CYP11B1CYP11B2ALDH1A1
SCHEMBL2414587 0.82 MKNK1 (0.38) CYP2A6CYP3A4CYP11B1CYP11B2ALDH1A1
SCHEMBL2414591 0.82 MKNK1 (0.38) CYP2A6CYP3A4CYP11B1CYP11B2ALDH1A1
SCHEMBL2411432 0.82 CYP19A1 (0.41) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2411436 0.82 CYP19A1 (0.41) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2418067 0.81 CYP11B1 (0.36) CYP2A6CYP3A4CYP11B1CYP11B2KDM4E

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 CYP2A6 131/4885CYP3A4 86/4885CYP2C19 62/4885

“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.