SCHEMBL2410644

SCHEMBL2410644

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccco2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2C9 P11712 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
P2RX3 P56373 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
GAA P10253 1/20 0.33
SCD O00767 1/20 0.32
SCD5 Q86SK9 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
SCHEMBL2410649 1.00 POLB (0.41) POLBKDM4EMEN1ALDH1A1TSHR
SCHEMBL2412622 0.89 KEAP1 (0.38) POLBKDM4EMEN1ALDH1A1TSHR
SCHEMBL2412623 0.89 KEAP1 (0.38) POLBKDM4EMEN1ALDH1A1TSHR
SCHEMBL315093 0.87 CHRNB1 (0.39) POLBKDM4EMEN1ALDH1A1TSHR
SCHEMBL315094 0.87 CHRNB1 (0.39) POLBKDM4EMEN1ALDH1A1TSHR
SCHEMBL316106 0.85 PTPN2 (0.33) POLBKDM4EMEN1ALDH1A1KMT2A
SCHEMBL316107 0.85 PTPN2 (0.33) POLBKDM4EMEN1ALDH1A1KMT2A
SCHEMBL12278640 0.81 KDM4E (0.41) POLBKDM4ETSHRGAA
SCHEMBL3185116 0.80 PTPN2 (0.33) POLBKDM4EPTPN2PTPN1PTPN6
SCHEMBL2413096 0.80 CYP3A4 (0.31) POLBKDM4EALDH1A1TSHRKMT2A

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 POLB 3076/4885KDM4E 1719/4885MEN1 4692/4885

“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.