SCHEMBL2142245

SCHEMBL2142245

COc1ccc(-c2cc(O[C@H]3SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.38
HDAC1 Q13547 3/20 0.37
KDM1A O60341 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CYP2D6 P10635 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33

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
SCHEMBL2142238 1.00 MAPKAPK2 (0.38) MAPKAPK2HDAC1KDM1AHDAC6HDAC2
SCHEMBL315558 0.90 MAPKAPK2 (0.32) MAPKAPK2
SCHEMBL315557 0.90 MAPKAPK2 (0.32) MAPKAPK2
SCHEMBL315399 0.86 SYK (0.32)
SCHEMBL315398 0.86 SYK (0.32)
SCHEMBL5275422 0.86 RXFP1 (0.44) GABRA1GABRB2CYP2D6SMN1; SMN2MEN1
SCHEMBL2138931 0.86 RXFP1 (0.44) GABRA1GABRB2CYP2D6SMN1; SMN2MEN1
SCHEMBL314752 0.85 CYP2A6 (0.39) MAPKAPK2HDAC1KDM1AHDAC6ABL1
SCHEMBL314753 0.85 CYP2A6 (0.39) MAPKAPK2HDAC1KDM1AHDAC6ABL1
SCHEMBL2410061 0.82 CYP1A2 (0.38) ABL1BCRCYP2D6SMN1; SMN2MEN1

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-8148407-B2 Compounds derived from 5-thioxylose and their use in therapeutics LABORATORIES FOURNIER S.A. (FR) 2012-04-03 US disclosed
US-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics INVENTIVA (FR) 2008-11-27 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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 MAPKAPK2 3195/4885HDAC1 2413/4885KDM1A 3499/4885

“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.