SCHEMBL2411071

SCHEMBL2411071

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3cccnc3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
CYP19A1 P11511 2/20 0.39
KMO O15229 1/20 0.38
ABL1 P00519 2/20 0.37
BCR P11274 1/20 0.37
MKNK1 Q9BUB5 6/20 0.36
MKNK2 Q9HBH9 6/20 0.36
CYP1A2 P05177 2/20 0.34
CYP17A1 P05093 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK10 P53779 1/20 0.34
FAAH O00519 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL2411065 1.00 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1KMOABL1
SCHEMBL315650 0.92 CHRNB1 (0.37) CYP11B1CYP11B2CYP19A1ABL1BCR
SCHEMBL315649 0.92 CHRNB1 (0.37) CYP11B1CYP11B2CYP19A1ABL1BCR
SCHEMBL2410664 0.90 CYP19A1 (0.38) CYP11B1CYP11B2CYP19A1ABL1BCR
SCHEMBL2410659 0.90 CYP19A1 (0.38) CYP11B1CYP11B2CYP19A1ABL1BCR
SCHEMBL2412632 0.90 MGLL (0.37) CYP11B1CYP11B2CYP17A1EPHX1CYP3A4
SCHEMBL2412630 0.90 MGLL (0.37) CYP11B1CYP11B2CYP17A1EPHX1CYP3A4
SCHEMBL1976002 0.88 CHRNB2 (0.35)
SCHEMBL1972019 0.88 CHRNB2 (0.35)
SCHEMBL2412498 0.88 CYP11B1 (0.39) CYP11B1CYP11B2MKNK1MKNK2CYP1A2

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 198/4885CYP19A1 1230/4885

“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.