SCHEMBL4498509

SCHEMBL4498509

CC(C)(C)OC(=O)NCCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.57
CA1 P00915 3/20 0.57
NAMPT P43490 1/20 0.53
SIGMAR1 Q99720 2/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
IDO1 P14902 1/20 0.47
CTSK P43235 1/20 0.46
FFAR1 O14842 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
NQO2 P16083 1/20 0.45

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
SCHEMBL16798316 0.89 NQO2 (0.50) CA2CA1NAMPTSIGMAR1IDO1
SCHEMBL1852791 0.88 EPHX2 (0.58) CA2CA1NAMPTEPHX2NR1H4
SCHEMBL8785537 0.88 CA2 (0.54) CA2CA1NAMPTSIGMAR1IDO1
SCHEMBL28848653 0.87 CA2 (0.56) CA2CA1NAMPTSIGMAR1MAPT
SCHEMBL8474870 0.86 CA12 (0.60) CA2CA1FFAR1MAPTKMT2A
SCHEMBL31606699 0.86 CA1 (0.54) CA2CA1NAMPTFFAR1
SCHEMBL572740 0.86 IDO1 (0.60) CA2CA1NAMPTSIGMAR1IDO1
SCHEMBL31108265 0.85 CA1 (0.55) CA2CA1FFAR1MEN1KMT2A
SCHEMBL379892 0.85 CA2 (0.54) CA2CA1NAMPTSIGMAR1EPHX2
SCHEMBL12283041 0.84 NPC1 (0.60) CA2CA1NAMPTEPHX2MAPT

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-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 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 (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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT CA2 3454/4885CA1 2254/4885NAMPT 973/4885

“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.