SCHEMBL5016183

SCHEMBL5016183

CCCCN(C)c1cccc2c(S(=O)(=O)NCC(=O)O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
GBA1 P04062 3/20 0.42
EDNRA P25101 1/20 0.42

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
Dansylglycine SCHEMBL386439 0.84 HDAC4 (0.60) HDAC4HDAC10HDAC6HDAC5CYP1A2
Dansylglycine SCHEMBL31496395 0.84 HDAC4 (0.60) HDAC4HDAC10HDAC6HDAC5CYP1A2
SCHEMBL5016479 0.80 TTR (0.47) HDAC4HDAC10HDAC6HDAC5MEN1
Dansylglycine SCHEMBL28460517 0.78 HDAC4 (0.54) HDAC4HDAC10HDAC6HDAC5F2
SCHEMBL5015679 0.77 CYP1A2 (0.47) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL9751653 0.76 HDAC4 (0.57) HDAC4HDAC10HDAC6HDAC5CYP1A2
Dansylglycine SCHEMBL4273131 0.76 HDAC4 (0.52) HDAC4HDAC10HDAC6HDAC5TSHR
SCHEMBL5016181 0.75 L3MBTL1 (0.54) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL17268647 0.74 HDAC4 (0.63) HDAC4HDAC10HDAC6HDAC5CYP1A2
SCHEMBL10002024 0.74 HDAC4 (0.67) HDAC4HDAC10HDAC6HDAC5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed
US-20060160901-A1 Method for selective targeting of apoptotic cells and small molecule ligands used thereof APOSENSE LTD. (IL) 2006-07-20 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-20060160901-A1 Method for selective targeting of apoptotic cells and small molecule ligands used thereof BAD, BAX, CASP3 HDAC4 2044/4885HDAC10 3078/4885HDAC6 613/4885

“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.