SCHEMBL6153476

SCHEMBL6153476

Nc1nnc(-c2cccc(Oc3cccc(COc4ccc(Cl)c(Cl)c4)c3)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MGAM O43451 2/20 0.55
GAA P10253 2/20 0.55
SI P14410 2/20 0.55
MGAM2 Q2M2H8 2/20 0.55
KDM4E B2RXH2 5/20 0.54
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
RAB9A P51151 3/20 0.43
QPCT Q16769 2/20 0.43
NPC1 O15118 2/20 0.43
QPCTL Q9NXS2 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20703807 0.72 NOTUM (1.00) NOTUMSMN1; SMN2MGAMGAASI
SCHEMBL6154386 0.71 GUSB (0.51) MGAMGAASIMGAM2KDM4E
SCHEMBL3734173 0.71 RAB9A (0.65) SMN1; SMN2KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL6154359 0.71 GUSB (0.65) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL6677704 0.70 MGAM (0.58) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL6155284 0.69 GUSB (0.56) SMN1; SMN2GAAKDM4EALDH1A1RAB9A
SCHEMBL6677778 0.69 MGAM (0.51) NOTUMSMN1; SMN2MGAMGAASI
SCHEMBL7313875 0.69 SMN1; SMN2 (0.92) NOTUMSMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL12578072 0.69 RAB9A (0.53) MRGPRX4RAB9ANPC1TDP1
SCHEMBL5552851 0.69 NOTUM (0.56) NOTUMSMN1; SMN2MGAMGAASI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP NOTUM 1783/4885SMN1; SMN2 2211/4885MGAM 3845/4885

“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.