SCHEMBL1781402

SCHEMBL1781402

COC(=O)CCN(C)[C@@H](C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TSHR P16473 3/20 0.44
SLC1A1 P43005 1/20 0.39
KDM5A P29375 2/20 0.37
CA12 O43570 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5595576 0.82 KMT2A (0.59) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL27579458 0.81 KMT2A (0.50) KMT2AMEN1TSHRSLC1A1KDM5A
Hydrochloric Acid SCHEMBL5595816 0.80 KMT2A (0.63) KMT2AMEN1TSHRKDM5ACA12
SCHEMBL5366870 0.77 KMT2A (0.53) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL7137905 0.76 PIK3CD (0.42) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3918996 0.76 SLC6A9 (0.32)
SCHEMBL5530395 0.74 RNPEP (0.34)
SCHEMBL19488728 0.73 HTR2A (0.37) CA12CA9TDP1
SCHEMBL11878714 0.73 HTR2A (0.37) CA12CA9TDP1
SCHEMBL2554979 0.73 MAPT (0.38) MAPTKDM4ELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118290-A1 Novel Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 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 (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-20110118290-A1 Novel Amides and Thioamides as Pesticides NAAA, AADAC, PTMS KMT2A 450/4885MEN1 4565/4885TSHR 62/4885

“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.