SCHEMBL4949463

SCHEMBL4949463

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
FFAR3 O14843 1/20 0.31
PIN1 Q13526 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4952926 0.86 OR51E2 (0.30)
SCHEMBL4632129 0.84 KDM4E (0.34) MAPTSMN1; SMN2
SCHEMBL4955458 0.84 HDAC3 (0.40) MEN1KMT2AMAPTFFAR3SMN1; SMN2
SCHEMBL4953275 0.84 CYP2C9 (0.39) CYP2C9MEN1KMT2AGAAMAPT
SCHEMBL4951668 0.81 CYP2C9 (0.37) CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL4954147 0.81 CYP2C9 (0.43) CYP2C9MEN1KMT2AGAAMAPT
SCHEMBL4953043 0.81 MAPT (0.42) MAPTSMN1; SMN2
SCHEMBL4954094 0.76 ACE (0.33) GAA
SCHEMBL4954486 0.76 TP53 (0.37) MEN1KMT2AGAA
SCHEMBL3394612 0.76

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 7 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
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO 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 CYP2C9 1149/4885MEN1 2064/4885KMT2A 3297/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 CYP2C9 3402/4885MEN1 3594/4885KMT2A 2169/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 CYP2C9 2829/4885MEN1 2708/4885KMT2A 4801/4885

“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.