SCHEMBL8426488

SCHEMBL8426488

CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)c2ccccc2N)C(=O)OC1C

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.83
DRD1 P21728 1/20 0.83
PTGS1 P23219 1/20 0.83
PDE4A P27815 1/20 0.83
SHH Q15465 1/20 0.42
MDM2 Q00987 4/20 0.40
MDM4 O15151 2/20 0.40
TSLP Q969D9 4/20 0.39
EPHA2 P29317 2/20 0.39
KEAP1 Q14145 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 1/20 0.38
F11 P03951 1/20 0.38
IL23R Q5VWK5 1/20 0.38

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
SCHEMBL8415772 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8422213 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL14446856 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL10157516 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8420524 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8227154 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8221832 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8415773 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL21250583 0.96 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL14301051 0.96 CTSL (0.86) CTSLDRD1PTGS1PDE4ASHH

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-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
US-20060194714-A1 Novel depsipeptides and process for preparing same CUBIST PHARMACEUTICALS, INC. 2006-08-31 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 (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-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP CTSL 49/4885DRD1 3359/4885PTGS1 765/4885
US-20060194714-A1 Novel depsipeptides and process for preparing same VIP, DNPEP, PREP CTSL 124/4885DRD1 2758/4885PTGS1 4259/4885

“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.