SCHEMBL16006582

SCHEMBL16006582

CCOC(=O)c1nn(CC(=O)OC)c2c1[C@H]1CC1C21SCCS1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL17695167 1.00 KDM4E (0.33) KDM4ELMNATSHRMAPK1USP2
SCHEMBL16006579 0.84 KDM4E (0.32) KDM4ETSHRPDE4APDE4BPDE4C
SCHEMBL24878758 0.84 KDM4E (0.32) KDM4ETSHRPDE4APDE4BPDE4C
SCHEMBL17695172 0.84 KDM4E (0.32) KDM4ETSHRPDE4APDE4BPDE4C
SCHEMBL23792572 0.78 MAPK1 (0.33) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL14487698 0.78 TRPM2 (0.35) KDM4ETSHRMAPK1ALDH1A1HPGD
SCHEMBL17545036 0.78 MAPK1 (0.33) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL16006722 0.78 MAPK1 (0.33) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL21407673 0.78 TRPM2 (0.35) KDM4ETSHRMAPK1ALDH1A1HPGD
SCHEMBL25457875 0.77 MAPK1 (0.32) KDM4ETSHRMAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 EP disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 EP disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 EP disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 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 (2 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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 KDM4E 4453/4885LMNA 3197/4885TSHR 4738/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDM4E 4478/4885LMNA 3225/4885TSHR 4662/4885

“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.