SCHEMBL16006579

SCHEMBL16006579

CCOC(=O)c1nn(CC(=O)OC)c2c1[C@H]1CC1C2(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX7 Q99572 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 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
SCHEMBL24878758 1.00 KDM4E (0.32) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL17695172 1.00 KDM4E (0.32) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL17695171 0.89 PDE4A (0.33) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL21995999 0.89 PDE4A (0.33) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL16006682 0.89 PDE4A (0.33) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL16145220 0.87
SCHEMBL17695167 0.84 KDM4E (0.33) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL16006582 0.84 KDM4E (0.33) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL25459276 0.84 CYP1A2 (0.32) KDM4ECYP1A2GAACYP2C19TSHR
SCHEMBL17621615 0.82 CCNA2 (0.35) KDM4ENPC1

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
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 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 4453/4885PDE4A 3273/4885PDE4B 2755/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDM4E 4478/4885PDE4A 3542/4885PDE4B 3104/4885

“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.