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SCHEMBL8236190

SCHEMBL8236190

C=CCOC(=O)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC(=O)[C@H](C(C)CC(=O)O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.66
▸ DRD1 P21728 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ PDE4A P27815 1/20 0.66
▸ EPHA2 P29317 4/20 0.35
▸ TET2 Q6N021 1/20 0.35
▸ TET1 Q8NFU7 1/20 0.35
▸ TSLP Q969D9 4/20 0.35
▸ F11 P03951 1/20 0.35
▸ KRAS P01116 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ SSTR2 P30874 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KCNMA1 Q12791 1/20 0.34
▸ KCNMB4 Q86W47 1/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ KLKB1 P03952 2/20 0.34

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
SCHEMBL8227168 0.94 CTSL (0.74) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL15177399 0.94 CTSL (0.74) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446427 0.90 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446449 0.90 CTSL (0.74) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446086 0.90 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8427698 0.90 CTSL (0.53) CTSLDRD1PTGS1PDE4AF11
SCHEMBL8242501 0.89 CTSL (0.80) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446450 0.88 CTSL (0.69) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227349 0.88 CTSL (0.78) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8244573 0.88 CTSL (0.64) CTSLDRD1PTGS1PDE4AEPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119395-A1 Novel Depsipeptides and Process for Preparing Same CUBIST PHARMACEUTICALS, INC. 2008-05-22 — — US disclosed
US-20080119395-A1 Novel Depsipeptides and Process for Preparing Same CUBIST PHARMACEUTICALS, INC. 2008-05-22 — — US disclosed
US-20060194714-A1 Novel depsipeptides and process for preparing same CUBIST PHARMACEUTICALS, INC. 2006-08-31 — — 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-20060194714-A1 Novel depsipeptides and process for preparing same VIP, DNPEP, PREP CTSL 124/4885DRD1 2758/4885PTGS1 4259/4885
US-20080119395-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.

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