SCHEMBL6841112

SCHEMBL6841112

CCCCCCCCCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.65
ITGB3 P05106 3/20 0.61
ITGA2B P08514 3/20 0.61
MME P08473 6/20 0.60
ACE P12821 4/20 0.60
CPA1 P15085 2/20 0.60
ACE2 Q9BYF1 2/20 0.60
ALDH1A1 P00352 1/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA2 P00918 1/20 0.52

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
SCHEMBL8244849 0.88 HDAC1 (0.70) HDAC1HDAC6NPC1LMNARAB9A
SCHEMBL1815011 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL22494096 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL22494095 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL4066786 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL9666114 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL22494097 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL21998924 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL9506671 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL9716823 0.87 FAAH (0.81) FAAHITGB3ITGA2BHDAC1HDAC6

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 1480/4885ITGB3 4822/4885ITGA2B 4778/4885

“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.