SCHEMBL20987669

SCHEMBL20987669

CCOC(=O)C(C)C(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CTSK P43235 2/20 0.36
CYP2D6 P10635 1/20 0.36
CTSS P25774 1/20 0.35
PTPRC P08575 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL20987593 0.79 EGLN1 (0.53) CYP2C19ALDH1A1HPGDGAAMGAM
SCHEMBL12017898 0.78 CYP2D6 (0.41) ALDH1A1GAACTSKCYP2D6CTSS
SCHEMBL29037226 0.77 MEN1 (0.46) ALDH1A1GAACTSKCYP2D6CTSS
SCHEMBL1455828 0.76 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL23354859 0.75 MEN1 (0.46) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL29873577 0.75 MEN1 (0.46) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL2113714 0.75 CYP2D6 (0.39) ALDH1A1GAACTSKCYP2D6CTSS
SCHEMBL12884403 0.75 CYP2D6 (0.42) ALDH1A1GAACTSKCYP2D6CTSS
SCHEMBL18556352 0.75 ALDH1A1 (0.57) ALDH1A1GAACTSKCYP2D6CTSS
SCHEMBL27072723 0.75 CYP2D6 (0.39) ALDH1A1GAACTSKCYP2D6CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084796-B2 Heterocyclic derivatives for the treatment of RSV GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-08-10 US disclosed
US-20190135770-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF RSV GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-05-09 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 (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-20190135770-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF RSV MAVS, HMGB3, NIPSNAP3A CYP1A2 4038/4885CYP2C9 4704/4885CYP2C19 4394/4885
US-11084796-B2 Heterocyclic derivatives for the treatment of RSV MAVS, HMGB3, NIPSNAP3A CYP1A2 4038/4885CYP2C9 4704/4885CYP2C19 4394/4885

“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.