SCHEMBL2409995

SCHEMBL2409995

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccc(-c2cnccc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
ABL1 P00519 13/20 0.36
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
CYP1A2 P05177 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL2409998 1.00 PRMT5 (0.37) PRMT5WDR77CYP11B1CYP11B2ABL1
SCHEMBL3401266 0.90 ABL1 (0.35) CYP11B1CYP11B2ABL1KITPDGFRA
SCHEMBL314332 0.90 ABL1 (0.35) CYP11B1CYP11B2ABL1KITPDGFRA
SCHEMBL2412489 0.88 FFAR1 (0.36) ABL1
SCHEMBL2412492 0.88 FFAR1 (0.36) ABL1
SCHEMBL2411065 0.86 CYP11B1 (0.39) CYP11B1CYP11B2ABL1CYP1A2
SCHEMBL2411071 0.86 CYP11B1 (0.39) CYP11B1CYP11B2ABL1CYP1A2
SCHEMBL2412632 0.86 MGLL (0.37) CYP11B1CYP11B2
SCHEMBL2412630 0.86 MGLL (0.37) CYP11B1CYP11B2
SCHEMBL2411945 0.84 PIM2 (0.38) PRMT5WDR77ABL1

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 PRMT5 961/4885WDR77 3751/4885CYP11B1 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.