SCHEMBL2204525

SCHEMBL2204525

CC(C)(C)OC(=O)N(C(=NC(=O)O)NCc1cccc(OCC2CCCCC2)c1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
ADAM17 P78536 1/20 0.38
KMT2A Q03164 1/20 0.37
KAT6A Q92794 1/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
CETP P11597 1/20 0.37
MMP13 P45452 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2207830 0.83 BCHE (0.38) ACACBACACASIRT2ADAM17
SCHEMBL3973089 0.83 KDM5A (0.42) SLC2A1KDM5AKDM4CACACBACACA
SCHEMBL3973085 0.83 KDM5A (0.42) SLC2A1KDM5AKDM4CACACBACACA
SCHEMBL2204520 0.78 SLC2A1 (0.41) SLC2A1KDM5AKDM4CACACBACACA
SCHEMBL29818941 0.78 SLC2A1 (0.41) SLC2A1KDM5AKDM4CACACBACACA
SCHEMBL12433059 0.78 SLC2A1 (0.41) SLC2A1KDM5AKDM4CACACBACACA
SCHEMBL611832 0.75 GLS (0.35)
SCHEMBL4569164 0.72 SLC2A1 (0.44) SLC2A1ACACBACACASIRT2ADAM17
SCHEMBL27439097 0.71 ACACB (0.48) SLC2A1KDM5AKDM4CACACBACACA
SCHEMBL29818794 0.71 SLC2A1 (0.43) SLC2A1ACACBACACASIRT2ADAM17

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-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 US disclosed
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-8993807-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-31 US disclosed
US-8981153-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-17 US disclosed
US-8829244-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2014-09-09 US disclosed
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 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 (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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885KDM5A 2638/4885KDM4C 2559/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SLC2A1 911/4885KDM5A 2638/4885KDM4C 2559/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885KDM5A 2638/4885KDM4C 2559/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SLC2A1 911/4885KDM5A 2638/4885KDM4C 2559/4885

“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.