SCHEMBL8420337

SCHEMBL8420337

CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H](C(C)CC(=O)O)C(=O)NC(C(=O)c2ccccc2N)C(=O)O[C@@H]1C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.84
▸ DRD1 P21728 1/20 0.84
▸ PTGS1 P23219 1/20 0.84
▸ PDE4A P27815 1/20 0.84
▸ EPHA2 P29317 3/20 0.39
▸ KCNMA1 Q12791 1/20 0.38
▸ KCNMB4 Q86W47 1/20 0.38
▸ NECTIN4 Q96NY8 3/20 0.38
▸ SSTR1 P30872 2/20 0.37
▸ SSTR2 P30874 2/20 0.37
▸ SSTR4 P31391 2/20 0.37
▸ SSTR3 P32745 2/20 0.37
▸ SSTR5 P35346 2/20 0.37
▸ KEAP1 Q14145 2/20 0.37
▸ KRAS P01116 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ ITGB6 P18564 1/20 0.37

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
SCHEMBL8418337 1.00 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8422141 0.95 CTSL (0.92) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL15507457 0.94 CTSL (0.77) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8418350 0.94 CTSL (0.74) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13267659 0.93 CTSL (0.79) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL15507422 0.93 CTSL (0.80) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8422213 0.91 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8415773 0.91 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL21250583 0.91 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227154 0.91 CTSL (0.88) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335726-B2 Lipopeptide stereoisomers, methods for preparing same and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
US-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates CUBIST PHARMACEUTICALS, INC. 2006-10-05 — — 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-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates NGLY1, LSS, NRDC CTSL 187/4885DRD1 3225/4885PTGS1 1577/4885

“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.

Send feedback