SCHEMBL3214410

SCHEMBL3214410

CC[C@@H](N)C(=O)NCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
EPHX1 P07099 3/20 0.49
CYP2D6 P10635 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CA9 Q16790 1/20 0.46
METAP2 P50579 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8246570 0.91 TDP1 (0.50) TSHRCYP2D6TDP1KMT2A
SCHEMBL22522261 0.83 TSHR (0.47) TSHREPHX1CYP2D6CA12CA1
SCHEMBL3220227 0.82 EPHX1 (0.52) TSHREPHX1CYP2D6CA12CA1
SCHEMBL27770664 0.82 EPHX1 (0.52) TSHREPHX1CYP2D6CA12CA1
SCHEMBL13608960 0.82 CA12 (0.53) TSHREPHX1CYP2D6CA12CA1
SCHEMBL21176177 0.82 METAP2 (0.56) TSHREPHX1CYP2D6CA12CA1
SCHEMBL21740128 0.82 CPN1 (0.40) TSHREPHX1CYP2D6KMT2A
SCHEMBL3224826 0.79 TSHR (0.49) TSHREPHX1CYP2D6CA12CA1
SCHEMBL3046964 0.79 TSHR (0.49) TSHREPHX1CYP2D6CA12CA1
SCHEMBL3723188 0.79 TDP1 (0.44) TSHREPHX1CYP2D6CA12CA1

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
CN-101583599-A N-hydroxyacrylamide compounds ASTELLAS PHARMA INC (JP) 2009-11-18 CN disclosed
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 EP disclosed
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 TSHR 1974/4885EPHX1 1810/4885CYP2D6 3340/4885

“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.