SCHEMBL4954486

SCHEMBL4954486

CCSC(NC(=O)C(C)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
ACE P12821 2/20 0.33
MME P08473 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADAM17 P78536 1/20 0.32
ACACB O00763 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G5 P39877 1/20 0.30

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
SCHEMBL4954174 0.85 TP53 (0.34) TP53ACEMMECPA1ACE2
SCHEMBL4954094 0.85 ACE (0.33) ACEMMECPA1ACE2ALDH1A1
SCHEMBL4953007 0.82 EPHX1 (0.38) TP53ACE2MEN1KMT2AGPR84
SCHEMBL4953043 0.78 MAPT (0.42) ALDH1A1KDM4E
SCHEMBL4949350 0.78 TP53 (0.42) TP53ACEMEN1KMT2A
SCHEMBL4949463 0.76 CYP2C9 (0.42) MEN1KMT2AGAA
SCHEMBL4952926 0.74 OR51E2 (0.30)
SCHEMBL4955458 0.73 HDAC3 (0.40) MEN1KMT2AALDH1A1PLA2G2APLA2G5
SCHEMBL4632129 0.73 KDM4E (0.34) ACEMMECPA1ACE2KDM4E
SCHEMBL3394612 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 TP53 2697/4885ACE 837/4885MME 423/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 TP53 3725/4885ACE 518/4885MME 4146/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 TP53 4079/4885ACE 2720/4885MME 2916/4885

“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.