SCHEMBL4394723

SCHEMBL4394723

CC(C)COC([O])C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
SLC7A5 Q01650 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
SCHEMBL4673724 0.78 TSHR (0.37) TSHRALDH1A1SLC7A5
SCHEMBL6399068 0.73 TSHR (0.33) TSHRALDH1A1
SCHEMBL181415 0.71 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL20609509 0.70 TSHR (0.34) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL11806922 0.70 TSHR (0.42) TSHRALDH1A1CHRM2CHRM4CHRM5
Urea SCHEMBL8376677 0.69 TSHR (0.41) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL7268427 0.68 SLC7A5 (0.46) TSHRSLC7A5
SCHEMBL8174864 0.68 CAD (0.34) TSHRALDH1A1LMNA
SCHEMBL1263275 0.68
SCHEMBL20786540 0.67 BHMT (0.33) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (4 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 TSHR 3751/4885ALDH1A1 220/4885EPHX1 2631/4885
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 TSHR 1589/4885ALDH1A1 348/4885EPHX1 959/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 TSHR 894/4885ALDH1A1 723/4885EPHX1 605/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 TSHR 1357/4885ALDH1A1 1343/4885EPHX1 1410/4885

“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.