SCHEMBL6846292

SCHEMBL6846292

CCCCCCCCCC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
NOD1 Q9Y239 2/20 0.47
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
TACR1 P25103 1/20 0.45
EPHX2 P34913 1/20 0.44
PSMB5 P28074 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL8236030 1.00 FAAH (0.54) FAAHNOD1ITGB3ITGA2BMMP2
SCHEMBL8241705 0.89 MEN1 (0.51) TACR1
SCHEMBL8426548 0.86 OPRM1 (0.48) FAAHMMP2MMP9MMP8ALDH1A1
SCHEMBL8427674 0.85 CERT1 (0.46) MMP2MMP9MMP8ALDH1A1ASAH1
SCHEMBL8242363 0.84 TACR1 (0.48) FAAHMMP2MMP9MMP8CTSL
SCHEMBL8427676 0.83 ALDH1A1 (0.42) FAAHMMP2MMP9MMP8CTSL
SCHEMBL8244970 0.83 CTSL (0.43) MMP2MMP9MMP8CTSLCTSS
SCHEMBL3662267 0.81 FAAH (0.58) FAAHNOD1ITGB3ITGA2BALDH1A1
SCHEMBL3660631 0.81 FAAH (0.58) FAAHNOD1ITGB3ITGA2BALDH1A1
SCHEMBL8672727 0.81 FAAH (0.58) FAAHNOD1ITGB3ITGA2BALDH1A1

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-6767718-B2 CYCLODEPSIPEPTIDE INTERMEDIATES USED TO SYNTHESIZE NEW LIPODEPSIPEPTIDE ; ANTIBIOTICS; HAVE ANTIBACTERIAL ACTIVITY AGAINST GRAM POSITIVE BACTERIA; LESS TOXIC THAN ANTIBIOTIC DAPTOMYCIN BIOSOURCE PHARM, INC. 2004-07-27 US disclosed
US-20030224475-A1 Lipodepsipeptide antibiotics and methods of preparation BIOSOURCE PHARM, INC. 2003-12-04 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-20030224475-A1 Lipodepsipeptide antibiotics and methods of preparation NPEPPS, MRPL38, LYPLA2 FAAH 1480/4885NOD1 1076/4885ITGB3 4822/4885

“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.