SCHEMBL13046129

SCHEMBL13046129

CCC[C@@H]1N=C(C)O[C@@H]1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90B1 P14625 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL13909205 1.00 TSHR (0.40) TSHRALDH1A1LMNATP53HPGD
SCHEMBL13046153 0.87 KMT2A (0.32) KMT2APOLB
SCHEMBL15538863 0.87 KMT2A (0.32) KMT2APOLB
SCHEMBL19975244 0.82 TSHR (0.49) TSHRALDH1A1LMNAHPGDHSD17B10
SCHEMBL3685683 0.81 KAT2A (0.42)
SCHEMBL3691477 0.74 SMYD3 (0.36) TSHRALDH1A1LMNAHPGDHSD17B10
SCHEMBL19974968 0.69 TSHR (0.51) TSHRALDH1A1LMNAHPGDHSD17B10
SCHEMBL13046117 0.68 TSHR (0.46) TSHRALDH1A1LMNATP53HPGD
SCHEMBL13046140 0.68 TSHR (0.46) TSHRALDH1A1LMNATP53HPGD
SCHEMBL19974946 0.68 TSHR (0.46) TSHRALDH1A1LMNATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834190-B2 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION (JP) 2010-11-16 US disclosed
US-7834190-B2 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION (JP) 2010-11-16 US disclosed
US-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION 2010-02-25 US disclosed
US-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION 2010-02-25 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 (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-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof HPD, HAAO, OGFOD1 TSHR 4688/4885ALDH1A1 338/4885LMNA 3367/4885

“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.