SCHEMBL3053149

SCHEMBL3053149

N[C@@H](CSC1c2ccccc2Oc2ccccc21)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
KIF11 P52732 6/20 0.39
PRMT1 Q99873 1/20 0.39
CYP2C9 P11712 1/20 0.37
GRM2 Q14416 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
GRM3 Q14832 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3056170 0.81 GRM2 (0.46) ATMKIF11PRMT1CYP2C9GRM2
SCHEMBL3056174 0.81 GRM2 (0.46) ATMKIF11PRMT1CYP2C9GRM2
SCHEMBL31537531 0.81 GRM2 (0.46) ATMKIF11PRMT1CYP2C9GRM2
SCHEMBL14343479 0.77 KIF11 (0.49) KIF11
SCHEMBL1899105 0.74 KIF11 (0.44) KIF11CYP1A2CYP2D6
SCHEMBL14343478 0.73 KIF11 (0.54) KIF11
SCHEMBL3053147 0.71 PRMT1 (0.43) ATMPRMT1CYP2C9GRM2L3MBTL1
SCHEMBL13290637 0.71 PRMT1 (0.43) ATMPRMT1CYP2C9GRM2L3MBTL1
SCHEMBL7486608 0.70 KIF11 (0.42) KIF11CYP1A2CYP2D6
SCHEMBL232514 0.70 KIF11 (0.42) KIF11CYP1A2CYP2D6

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-7745392-B2 Multi-valent guanidinium compounds for enhancing molecular translocation across cellular membranes and epithelial tissues NITTO DENKO CORPORATION (JP) 2010-06-29 US disclosed
US-20070078078-A1 Multi-valent guanidinium compounds for enhancing molecular translocation across cellular membranes and epithelial tissues NITTO DENKO CORPORATION (JP) 2007-04-05 US disclosed
WO-2007038169-A2 MULTI-VALENT GUANIDINIUM COMPOUNDS FOR MOLECULAR TRANSLOCATION ACROSS CELLULAR MEMBRANES AND EPITHELIAL TISSUES NITTO DENKO CORPORATION (JP) 2007-04-05 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-20070078078-A1 Multi-valent guanidinium compounds for enhancing molecular translocation across cellular membranes and epithelial tissues GLS, FABP2, GOLIM4 ATM 4425/4885KIF11 3922/4885PRMT1 824/4885

“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.