SCHEMBL2139974

SCHEMBL2139974

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cnc(-c2ccccc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
KDM4E B2RXH2 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR5 P35346 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
F2R P25116 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GRM1 Q13255 1/20 0.30
ACACB O00763 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CTSA P10619 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
SCHEMBL2139978 1.00 DHODH (0.35) DHODHKDM4ESSTR4SSTR5HCRTR1
SCHEMBL314779 0.91 ADORA2A (0.32)
SCHEMBL3399355 0.91 ADORA2A (0.32)
SCHEMBL315036 0.91 CYP2C19 (0.35) HCRTR1HCRTR2CTSA
SCHEMBL3401136 0.91 CYP2C19 (0.35) HCRTR1HCRTR2CTSA
SCHEMBL3395742 0.89
SCHEMBL314966 0.89
SCHEMBL314579 0.89 KDM1A (0.31) F2R
SCHEMBL315234 0.89 FFAR4 (0.33) F2R
SCHEMBL314511 0.89 WNT3A (0.34)

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 DHODH 81/4885KDM4E 1733/4885SSTR4 4027/4885

“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.