SCHEMBL2409949

SCHEMBL2409949

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccc(-c2cccnc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
CTSA P10619 1/20 0.36
LMNA P02545 1/20 0.35
DHODH Q02127 8/20 0.33
KMT2A Q03164 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
SCHEMBL2409951 1.00 RXFP1 (0.36) RXFP1CTSALMNADHODHKMT2A
SCHEMBL2410909 0.90 ABL1 (0.37) DHODH
SCHEMBL2410913 0.90 ABL1 (0.37) DHODH
SCHEMBL3395741 0.89 ABL1 (0.32) CTSADHODH
SCHEMBL314759 0.89 ABL1 (0.32) CTSADHODH
SCHEMBL2415464 0.89 PRMT5 (0.36) DHODH
SCHEMBL2415462 0.89 PRMT5 (0.36) DHODH
SCHEMBL2412528 0.88 ABL1 (0.35) DHODH
SCHEMBL2412530 0.88 ABL1 (0.35) DHODH
SCHEMBL2409549 0.87 RORB (0.35) RXFP1LMNADHODH

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 RXFP1 4365/4885CTSA 3358/4885LMNA 3890/4885

“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.