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SCHEMBL25541944

SCHEMBL25541944

CC(CC(=O)O)[C@@H]1NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.72
▸ DRD1 P21728 1/20 0.72
▸ PTGS1 P23219 1/20 0.72
▸ PDE4A P27815 1/20 0.72
▸ EPHA2 P29317 3/20 0.36
▸ KRAS P01116 1/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ NECTIN4 Q96NY8 4/20 0.35
▸ TSLP Q969D9 1/20 0.35
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34
▸ IL23R Q5VWK5 3/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ ITGAV P06756 2/20 0.34
▸ ITGB1 P05556 1/20 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
SCHEMBL25541924 0.98 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL19457470 0.98 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL25541860 0.96 CTSL (0.78) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL25541852 0.93 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL19457469 0.93 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL19457323 0.89 CTSL (0.92) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13246859 0.87 CTSL (0.83) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13246854 0.86 CTSL (0.86) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13246855 0.86 CTSL (0.86) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL10157516 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667674-B2 Antibacterial cyclic lipopeptides VERSITECH LIMITED (CN) 2023-06-06 — — 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-11667674-B2 Antibacterial cyclic lipopeptides PTMS, NRDC, LNPEP CTSL 138/4885DRD1 3797/4885PTGS1 2220/4885

“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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