SCHEMBL5440302

SCHEMBL5440302

CC(=O)C(C(N)=O)c1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
TYR P14679 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.40
USP5 P45974 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39

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
SCHEMBL38660598 0.85 BRD4 (0.57) HTTCYP2C9CYP2D6BRD4ALDH1A1
SCHEMBL11217394 0.83 SRC (0.48) KIF11HTTCYP2C9CYP2D6HIF1A
SCHEMBL9374736 0.80 SRC (0.56) CYP2D6MAPK1EPHX1LMNASMN1; SMN2
SCHEMBL1753679 0.79 TSHR (0.48) TYRALDH1A1SMN1; SMN2CA12CA1
SCHEMBL11458883 0.78 BRD4 (0.44) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL10583234 0.78 PARP10 (0.52) EPHX1MAPTCA1CA2MEN1
SCHEMBL15447133 0.77 MAPT (0.41) HTTHIF1AKDM4EBRD4ALDH1A1
SCHEMBL7472615 0.76 CES2 (0.47) KIF11KMT2A
SCHEMBL11213786 0.76 KIF11 (0.48) KIF11HTTCYP2C9CYP2D6HIF1A
SCHEMBL9494308 0.75 SRC (0.61) KIF11HTTCYP2C9CYP2D6HIF1A

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-20070232628-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2007-10-04 US disclosed
EP-1742924-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-17 EP disclosed
WO-2005108376-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-17 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-20070232628-A1 Calcilytic Compounds SOST, CALCB, CALCR KIF11 4374/4885HTT 4266/4885CYP2C9 4342/4885

“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.