SCHEMBL6153939

SCHEMBL6153939

CC1CCN(C(=O)COc2ccc(-c3nnc(Nc4ccc(Cl)c(Cl)c4)s3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.56
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 4/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
BLM P54132 3/20 0.42
HPN P05981 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.41
ATF4 P18848 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL6155022 0.91 ALDH1A1 (0.49) GUSBALDH1A1L3MBTL1GRIN1GRIN2B
SCHEMBL6153841 0.75 GUSB (0.72) GUSBALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL6153628 0.69 ROCK1 (0.53) GUSBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6155706 0.68 GUSB (0.72) GUSBALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL6153932 0.68 GUSB (0.72) GUSBALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL14223763 0.68 ALDH1A1 (0.68) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL6154727 0.68 GUSB (0.61) GUSBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6155747 0.67 GUSB (0.70) GUSBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13621188 0.67 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL14578661 0.67 ALDH1A1 (0.78) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA

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 GUSB 2466/4885ALDH1A1 961/4885L3MBTL1 279/4885

“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.