SCHEMBL2139532

SCHEMBL2139532

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccc(CO)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
FYN P06241 4/20 0.34
TP53 P04637 2/20 0.34
CHRNA7 P36544 1/20 0.34
MAPT P10636 4/20 0.33
THRB P10828 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTGER4 P35408 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL5275422 0.89 RXFP1 (0.44) CHRNA7SMN1; SMN2RAB9ANPC1RXFP1
SCHEMBL2142885 0.89 CHRNA7 (0.44) KDM1ACHRNA7RXFP1PTGER4CYP4F2
SCHEMBL5283290 0.89 CHRNA7 (0.44) KDM1ACHRNA7RXFP1PTGER4CYP4F2
SCHEMBL2138931 0.89 RXFP1 (0.44) CHRNA7SMN1; SMN2RAB9ANPC1RXFP1
SCHEMBL315134 0.87 CHRNA7 (0.33) FYNCHRNA7MAPTRXFP1CYP4F2
SCHEMBL315133 0.87 CHRNA7 (0.33) FYNCHRNA7MAPTRXFP1CYP4F2
SCHEMBL314941 0.86 CHRNA7 (0.35) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL3399328 0.86 CHRNA7 (0.35) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL314637 0.86 CHRNA7 (0.32) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL314638 0.86 CHRNA7 (0.32) CHRNA7RXFP1CYP4F2CYP4A11

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 KDM1A 3499/4885FYN 520/4885TP53 3694/4885

“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.