SCHEMBL8235598

SCHEMBL8235598

CCCCCCCCCC(=O)NC(Cc1cn(C)c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.54
▸ CCKBR P32239 6/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ PSMB5 P28074 1/20 0.41
▸ CCKAR P32238 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ OXER1 Q8TDS5 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ ICMT O60725 1/20 0.40

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
SCHEMBL14186762 0.94 KDM4E (0.52) PTPN1CCKBRKDM4EHPGDHSD17B10
SCHEMBL14177510 0.82 CCKBR (0.61) PTPN1CCKBRMMP9MMP8CCKAR
SCHEMBL20622707 0.82 KDM4E (0.57) KDM4EHPGDHSD17B10MMP9MMP8
SCHEMBL8242416 0.82 KDM4E (0.57) KDM4EHPGDHSD17B10MMP9MMP8
SCHEMBL8360548 0.80 CCKBR (0.65) PTPN1CCKBRCCKAR
SCHEMBL8241583 0.80 PTPN1 (0.58) PTPN1HSD17B10MEN1KMT2A
SCHEMBL8363913 0.78 PTPN1 (0.65) PTPN1CCKBRMMP9MMP8PSMB5
SCHEMBL8242399 0.78 KDM4E (0.55) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL8363911 0.78 ICMT (0.52) MMP9MMP8CNR1CNR2ICMT
SCHEMBL8241488 0.78 ICMT (0.52) CCKBRCNR1CNR2OPRD1ICMT

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-20060194714-A1 Novel depsipeptides and process for preparing same CUBIST PHARMACEUTICALS, INC. 2006-08-31 — — US disclosed
WO-2003014147-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARMACEUTICALS, INC. (US) 2003-02-20 — — WO 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-20060194714-A1 Novel depsipeptides and process for preparing same VIP, DNPEP, PREP PTPN1 3638/4885CCKBR 2050/4885KDM4E 2377/4885

“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.

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