SCHEMBL1853100

SCHEMBL1853100

Cc1c(CO)sc2c(-c3cccc(Br)c3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
ALOX5 P09917 2/20 0.35
MAOB P27338 1/20 0.35
HTR6 P50406 1/20 0.35
PTGES O14684 1/20 0.34
PDE10A Q9Y233 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MCL1 Q07820 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL14739335 0.76 LIMK1 (0.47) ALOX5MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL1850301 0.76 PDCD1 (0.33) PDCD1CD274
SCHEMBL5912626 0.73 PDCD1 (0.50) PDCD1CD274MAOBSMN1; SMN2KMT2A
SCHEMBL1850748 0.72 PTGER1 (0.42) PDCD1CD274PDE10AMCL1
SCHEMBL30152040 0.71 ALOX5 (0.61) ALOX5MAOBSMN1; SMN2ALDH1A1NPC1
SCHEMBL1278381 0.71 ALOX5 (0.61) ALOX5MAOBSMN1; SMN2ALDH1A1NPC1
SCHEMBL27958800 0.70 LIMK1 (0.47) ALOX5MAOBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL23532106 0.70 PDCD1 (0.33) PDCD1CD274KDM4EALDH1A1NPC1
Bromide SCHEMBL28127262 0.70 ALOX5 (0.60) ALOX5MAOBSMN1; SMN2ALDH1A1NPC1
SCHEMBL1278213 0.69 ALOX5 (0.58) ALOX5MAOBSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609785-B1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC (JP) 2016-02-03 EP disclosed
EP-1980560-B1 C-glycoside derivatives for the treatment of diabetes ASTELLAS PHARMA INC (JP) 2011-05-25 EP disclosed
US-7772407-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-10 US disclosed
EP-1980560-A2 C-glycoside derivatives for the treatment of diabetes Astellas Pharma Inc. (JP) 2008-10-15 EP disclosed
US-20070161787-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-07-12 US disclosed
US-7202350-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-04-10 US disclosed
US-20060122126-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2006-06-08 US disclosed
EP-1609785-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF Astellas Pharma Inc. (JP) 2005-12-28 EP 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 (2 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-20070161787-A1 C-glycoside derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 PDCD1 4369/4885CD274 4637/4885ALOX5 4723/4885
US-20060122126-A1 C-glycoside derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 PDCD1 4369/4885CD274 4637/4885ALOX5 4723/4885

“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.