SCHEMBL21176305

SCHEMBL21176305

CC1(C)CC(=O)NC1C(=O)O.CCOC(=O)C1NC(=O)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 5/20 0.35
MAPT P10636 2/20 0.35
HIF1A Q16665 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL30063005 0.94 MAPT (0.38) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL3939441 0.84 HTT (0.38) CYP2C19HTTMAPTKDM4E
SCHEMBL7271734 0.84 HTT (0.38) CYP2C19HTTMAPTKDM4E
SCHEMBL28875903 0.83 MAPT (0.35) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL31552080 0.77 ALDH1A1 (0.38) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL21183544 0.76 KMT2A (0.42) CYP1A2KMT2AGAAHTTMAPT
SCHEMBL27096455 0.66 DDB1 (0.38) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6506166 0.65 KDM4E (0.45) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL5204219 0.65 LMNA (0.40) MEN1KMT2AMAPTPPM1BPTPN1
SCHEMBL29008067 0.65 LMNA (0.40) MEN1KMT2AMAPTPPM1BPTPN1

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-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C MEN1 4331/4885CYP1A2 2641/4885CYP2D6 798/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C MEN1 4331/4885CYP1A2 2641/4885CYP2D6 798/4885

“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.