SCHEMBL14969737

SCHEMBL14969737

COC(=O)CC(NC(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
TGFBR1 P36897 1/20 0.37
TSHR P16473 4/20 0.37
MME P08473 2/20 0.36
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ACE P12821 1/20 0.33

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
SCHEMBL752074 0.83 TSHR (0.37) ALDH1A1TSHRMMEHSD17B10MGAM
SCHEMBL8996690 0.83 TSHR (0.37) ALDH1A1TSHRMMEHSD17B10MGAM
SCHEMBL8996619 0.83 TSHR (0.37) ALDH1A1TSHRMMEHSD17B10MGAM
SCHEMBL25761661 0.80 CA2 (0.42) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL14199849 0.80 CA2 (0.42) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL14179673 0.80 CA2 (0.42) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL25475997 0.79 TSHR (0.33) LMNATSHRHSD17B10MGAMGAA
SCHEMBL19398083 0.79 TSHR (0.33) TSHRHSD17B10MGAMGAASI
SCHEMBL19729230 0.78 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2ATGFBR1
SCHEMBL14268339 0.78 TSHR (0.40) ALDH1A1MEN1LMNAKMT2ATGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 EP 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 (1 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ALDH1A1 2185/4885MEN1 4309/4885LMNA 2333/4885

“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.