SCHEMBL6153669

SCHEMBL6153669

Cc1ccc(NC(=S)NN=Cc2cccc(OCCO)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ALOX12 P18054 2/20 0.48
MEN1 O00255 6/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RRM1 P23921 1/20 0.43
RRM2 P31350 1/20 0.43
RRM2B Q7LG56 1/20 0.43

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
SCHEMBL6154622 0.77 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6153460 0.73 RRM1 (0.56) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6153416 0.71 KMT2A (0.52) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6156530 0.70 KMT2A (0.51) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL13569030 0.68 MEN1 (0.61) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL13569001 0.67 NPC1 (0.53) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7174366 0.67 FURIN (0.54) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7174364 0.67 FURIN (0.54) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6667366 0.65 MEN1 (0.47) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL12937916 0.65 HDAC8 (0.63) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1

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 3 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 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 KMT2A 875/4885SMN1; SMN2 2211/4885ALDH1A1 961/4885

“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.