SCHEMBL13857313

SCHEMBL13857313

CC(=O)NC1CSSCC(C(N)=O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)CNC1=O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.55
TSLP Q969D9 16/20 0.51
CACNA1B Q00975 1/20 0.47

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
SCHEMBL13857314 0.97 KEAP1 (0.55) KEAP1TSLP
SCHEMBL13857317 0.96 KEAP1 (0.54) KEAP1TSLP
SCHEMBL13857315 0.96 KEAP1 (0.50) KEAP1TSLPCACNA1B
SCHEMBL13857316 0.94 KEAP1 (0.55) KEAP1TSLP
SCHEMBL13857318 0.92 KEAP1 (0.51) KEAP1TSLPCACNA1B
SCHEMBL13857319 0.90 KEAP1 (0.53) KEAP1TSLPCACNA1B
SCHEMBL22342189 0.75 KEAP1 (0.60) KEAP1TSLP
SCHEMBL25455142 0.74 KEAP1 (0.53) KEAP1TSLPCACNA1B
SCHEMBL19682189 0.73 KLKB1 (0.45) KEAP1TSLPCACNA1B
SCHEMBL30695101 0.73 ITGB3 (0.51) KEAP1

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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 KEAP1 611/4885TSLP 1162/4885CACNA1B 894/4885

“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.