SCHEMBL8422164

SCHEMBL8422164

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)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)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.79
▸ DRD1 P21728 1/20 0.79
▸ PTGS1 P23219 1/20 0.79
▸ PDE4A P27815 1/20 0.79
▸ SHH Q15465 1/20 0.40
▸ NECTIN4 Q96NY8 6/20 0.36
▸ EPHA2 P29317 3/20 0.36
▸ IL23R Q5VWK5 1/20 0.35
▸ KCNMA1 Q12791 1/20 0.35
▸ KCNMB4 Q86W47 1/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ TSLP Q969D9 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP4 Q8TDU9 1/20 0.35

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
SCHEMBL8227222 0.94 CTSL (0.89) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8227043 0.94 CTSL (0.89) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8422213 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL10157516 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8420524 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8221832 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8227154 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8415773 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL21250583 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8415772 0.94 CTSL (0.88) 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 3 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-7262268-B2 Lipopeptide stereoisomers, methods for preparing same, and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2007-08-28 — — 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.

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