SCHEMBL13385437

SCHEMBL13385437

CCC/N=C(/NCC)SC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
KDM4A O75164 1/20 0.31
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL13385439 0.81
Iodide SCHEMBL11699715 0.79 ALDH1A1 (0.36) NOS1KDM4A
Iodide SCHEMBL11699721 0.79 ALDH1A1 (0.36) NOS1KDM4A
SCHEMBL8050690 0.73
SCHEMBL4095555 0.73
SCHEMBL10736671 0.72 GRIN2D (0.55) NOS3NOS1
SCHEMBL10736672 0.72 GRIN2D (0.55) NOS3NOS1
SCHEMBL11767214 0.71 GRIN2D (0.44) NOS3NOS1
SCHEMBL14373125 0.70 ALDH1A1 (0.35) ADRA2AKDM4A
SCHEMBL6928681 0.70 SIGMAR1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700581-B2 Cephalosporin compounds comprising a C3 thio-methyl moiety substituted with N-containing heterocyclic group, and a C7 thiourea acetamido group, their preparations and uses thereof GUANGZHOU BAIYUNSHAN PHARMACEUTICAL CO., LTD. (CN) 2010-04-20 US disclosed
US-20080182836-A1 Cephalosporin compounds comprising a C3 thio-methyl moiety substituted with N-containing heterocyclic group, and a C7 thiourea acetamido group, their preparations and uses thereof GUANGZHOU BAIYUNSHAN PHARMACEUTICAL CO., LTD. (CN) 2008-07-31 US 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-20080182836-A1 Cephalosporin compounds comprising a C3 thio-methyl moiety substituted with N-containing heterocyclic group, and a C7 thiourea acetamido group, their preparations and uses thereof C5, TPMT, C9 ADRA2A 3893/4885NOS3 1938/4885NOS1 2975/4885

“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.