SCHEMBL2873585

SCHEMBL2873585

CC(C)C[C@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.62
MMP2 P08253 1/20 0.59
MMP7 P09237 1/20 0.59
MMP9 P14780 1/20 0.59
MMP12 P39900 1/20 0.59
MMP13 P45452 1/20 0.59
ACE P12821 4/20 0.58
CPA1 P15085 2/20 0.58
ACE2 Q9BYF1 2/20 0.58

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
SCHEMBL29045684 0.91 MME (0.58) MMEMMP2MMP7MMP9MMP12
SCHEMBL29045685 0.91 MME (0.58) MMEMMP2MMP7MMP9MMP12
SCHEMBL23616285 0.91 MME (0.55) MMEMMP2MMP7MMP9MMP12
SCHEMBL8727951 0.89 MME (0.54) MMEMMP2MMP7MMP9MMP12
SCHEMBL1477244 0.89 MME (0.54) MMEMMP2MMP7MMP9MMP12
N-Formylmethionyl-Leucylphenylalanine SCHEMBL39529 0.88 FPR1 (0.61) MMEMMP2MMP7MMP9MMP12
N-Formylmethionyl-Leucylphenylalanine SCHEMBL9903983 0.88 FPR1 (0.61) MMEMMP2MMP7MMP9MMP12
N-Formylmethionyl-Leucylphenylalanine SCHEMBL17202476 0.88 FPR1 (0.61) MMEMMP2MMP7MMP9MMP12
N-Formylmethionyl-Leucylphenylalanine SCHEMBL4592799 0.88 FPR1 (0.61) MMEMMP2MMP7MMP9MMP12
N-Formylmethionyl-Leucylphenylalanine SCHEMBL4969844 0.88 FPR1 (0.61) MMEMMP2MMP7MMP9MMP12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172545-A1 Preparation of purified peptide deformylase DSM IP Assets B.V. (NL) 2010-04-07 EP disclosed
US-6762175-B2 LIPOPHILIC BIOLOGICALLY ACTIVE COMPOUND CONTAINING IN ITS MOLECULAR STRUCTURE ONE OR MORE FUNCTIONAL GROUPS SELECTED FROM ALCOHOL, ETHER, PHENYL, AMINO, AMIDO, THIOL, ACID AND ESTER IN WHICH ONE GROUP IS REPLACED BY LIPOPHILIC GROUP NORSK HYDRO ASA (NO) 2004-07-13 US disclosed
EP-0977725-B1 NEW FATTY ACID DERIVATIVES CONPHARMA AS (NO) 2004-06-16 EP disclosed
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NORSK HYDRO ASA 2004-04-01 US disclosed
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group CONPHARMA AS (NO) 2003-08-14 US disclosed
US-20010006962-A1 FATTY ACID DERIVATIVES NORSK HYDRO ASA (NO) 2001-07-05 US disclosed
EP-0977725-A1 NEW FATTY ACID DERIVATIVES NORSK HYDRO ASA (NO) 2000-02-09 EP disclosed
WO-1998032718-A1 NEW FATTY ACID DERIVATIVES NORSK HYDRO ASA (NO) 1998-07-30 WO 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 (3 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-20010006962-A1 FATTY ACID DERIVATIVES HADH, NR1H2, NR1H3 MME 3269/4885MMP2 4444/4885MMP7 3814/4885
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NCEH1, NR1H2, NR1H3 MME 1737/4885MMP2 3853/4885MMP7 3247/4885
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group TSPO, NR1H2, NR1H3 MME 1964/4885MMP2 3545/4885MMP7 3798/4885

“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.