SCHEMBL2138221

SCHEMBL2138221

Oc1cncc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.54
NR1H2 P55055 1/20 0.54
BAX Q07812 1/20 0.54
XDH P47989 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
TSHR P16473 1/20 0.48
EGLN1 Q9GZT9 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
AKR1C3 P42330 1/20 0.40
MAOB P27338 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL22100509 0.85 LMNA (0.63) LTA4HLMNATDP1
SCHEMBL2906351 0.77 MEN1 (0.64) LTA4HNR1H2BAXXDHLMNA
SCHEMBL5712250 0.76 LTA4H (0.65) LTA4HNR1H2BAXTSHRAKR1C3
SCHEMBL11579816 0.76 LTA4H (0.65) LTA4HNR1H2BAXTSHRAKR1C3
SCHEMBL2442117 0.76 MAOB (0.59) LTA4HXDHSLC22A12TSHRLMNA
SCHEMBL11163510 0.76 LTA4H (0.48) LTA4HNR1H2BAXXDHSLC22A12
SCHEMBL11545406 0.76 LTA4H (0.48) LTA4HXDHSLC22A12TSHRKMT2A
SCHEMBL1555903 0.76 LTA4H (0.48) LTA4HXDHSLC22A12TSHRLMNA
SCHEMBL11490612 0.76 LTA4H (0.48) LTA4HXDHSLC22A12TSHRLMNA
SCHEMBL28684554 0.76 LTA4H (0.48) LTA4HXDHSLC22A12TSHRLMNA

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 5 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
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 EP disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 WO 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 LTA4H 192/4885NR1H2 1171/4885BAX 2351/4885

“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.