SCHEMBL4242808

SCHEMBL4242808

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.64
ACE P12821 2/20 0.64
CPA1 P15085 2/20 0.64
ACE2 Q9BYF1 2/20 0.64
MMP2 P08253 14/20 0.60
MMP1 P03956 9/20 0.60
MMP3 P08254 9/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
MMP7 P09237 4/20 0.57
BIRC2 Q13490 1/20 0.57

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
SCHEMBL5966735 1.00 MME (0.64) MMEACECPA1ACE2MMP2
SCHEMBL29232996 0.94 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL13609083 0.89 MME (0.68) MMEACECPA1ACE2MMP2
SCHEMBL27889032 0.86 MMP3 (0.76) MMP2MMP1MMP3MMP7BIRC2
SCHEMBL13427629 0.85 MME (0.65) MMEACECPA1ACE2MMP2
SCHEMBL18558016 0.84 MMP1 (0.61) MMEACECPA1ACE2MMP2
SCHEMBL8583007 0.84 MME (0.64) MMEACECPA1ACE2HDAC3
SCHEMBL30973624 0.84 MME (0.64) MMEACECPA1ACE2HDAC3
SCHEMBL9956195 0.84 MME (0.64) MMEACECPA1ACE2HDAC3
SCHEMBL7787562 0.83 MME (0.55) MMEACECPA1ACE2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187579-B2 Thickening agent AJINOMOTO CO., INC. (JP) 2012-05-29 US claimed
US-8187579-B2 Thickening agent AJINOMOTO CO., INC. (JP) 2012-05-29 US disclosed
US-20090030092-A1 THICKENING AGENT AJINOMOTO CO., INC. (JP) 2009-01-29 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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 (2 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-20090030092-A1 THICKENING AGENT CUTA, NAAA, ACOT7 MME 3656/4885ACE 3884/4885CPA1 991/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 MME 1046/4885ACE 3199/4885CPA1 1590/4885

“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.