SCHEMBL6845237

SCHEMBL6845237

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.60
MME P08473 5/20 0.56
ACE P12821 4/20 0.56
CPA1 P15085 2/20 0.56
ACE2 Q9BYF1 2/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51
KLKB1 P03952 1/20 0.51
FOLH1 Q04609 1/20 0.50
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
PIN1 Q13526 2/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL28020366 0.86 MME (0.55) EPHX1MMEACECPA1ACE2
SCHEMBL6841112 0.85 FAAH (0.65) MMEACECPA1ACE2LMNA
SCHEMBL4585419 0.82 FOLH1 (0.59) MMEACECPA1ACE2LMNA
SCHEMBL6121330 0.81 LMNA (0.74) LMNAKMT2AALDH1A1ITGB3ITGAV
SCHEMBL7448015 0.81 ALDH1A1 (0.68) MMEACECPA1ACE2KMT2A
SCHEMBL22494085 0.81 FAAH (0.65) LMNAKMT2AKLKB1
SCHEMBL22494086 0.81 FAAH (0.65) LMNAKMT2AKLKB1
SCHEMBL22494084 0.81 FAAH (0.65) LMNAKMT2AKLKB1
SCHEMBL6187732 0.78 MME (0.57) MMEACECPA1ACE2ITGB3
SCHEMBL6268181 0.78 MME (0.57) MMEACECPA1ACE2ITGB3

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 EPHX1 4606/4885MME 1372/4885ACE 1876/4885

“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.