SCHEMBL6155022

SCHEMBL6155022

CC1CCN(C(=O)COc2cccc(-c3nnc(Nc4ccc(Cl)c(Cl)c4)s3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ROCK1 Q13464 3/20 0.48
ROCK2 O75116 1/20 0.48
GUSB P08236 2/20 0.46
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL6153939 0.91 GUSB (0.56) ALDH1A1L3MBTL1GUSBTP53MAPT
SCHEMBL6153628 0.80 ROCK1 (0.53) ALDH1A1ROCK1ROCK2GUSBKDM4E
SCHEMBL6154672 0.78 GUSB (0.61) ALDH1A1ROCK1ROCK2GUSBTP53
SCHEMBL6690137 0.74 GUSB (0.48) ALDH1A1ROCK1ROCK2GUSBKDM4E
SCHEMBL6155528 0.73 GUSB (0.57) ALDH1A1L3MBTL1ROCK1ROCK2GUSB
SCHEMBL6155284 0.73 GUSB (0.56) ALDH1A1ROCK1ROCK2GUSBKDM4E
SCHEMBL6154359 0.73 GUSB (0.65) ALDH1A1L3MBTL1ROCK1ROCK2GUSB
SCHEMBL4954816 0.72 GUSB (0.56) ALDH1A1L3MBTL1ROCK1ROCK2GUSB
SCHEMBL6153472 0.72 GUSB (0.53) ALDH1A1ROCK1ROCK2GUSBKDM4E
SCHEMBL6153810 0.72 KMO (0.55) ALDH1A1ROCK1ROCK2GUSBKDM4E

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 1 patent. 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

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 ALDH1A1 961/4885L3MBTL1 279/4885ROCK1 3290/4885

“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.