SCHEMBL5720974

SCHEMBL5720974

CCC(C)OC(=O)CC(N)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MTOR P42345 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AOC3 Q16853 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5720981 0.88 F2 (0.42) HDAC4HDAC7HDAC5MTORCES2
SCHEMBL7403590 0.82 MAPT (0.44) LMNAHDAC4HDAC7HDAC5KMT2A
SCHEMBL5720988 0.82 MAPT (0.44) LMNAHDAC4HDAC7HDAC5KMT2A
SCHEMBL7422382 0.82 HDAC4 (0.46) HDAC4HDAC7HDAC5MTORCES2
SCHEMBL5633627 0.82 HDAC4 (0.46) HDAC4HDAC7HDAC5MTORCES2
Hydrochloric Acid SCHEMBL7339173 0.81 MAPT (0.43) LMNAHDAC4HDAC7HDAC5KMT2A
Hydrochloric Acid SCHEMBL7902491 0.81 MAPT (0.43) LMNAHDAC4HDAC7HDAC5KMT2A
Hydrochloric Acid SCHEMBL6339453 0.81 HDAC4 (0.45) HDAC4HDAC7HDAC5MTORCES2
SCHEMBL5720795 0.80 POLB (0.45) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL5720942 0.80 POLB (0.45) HDAC4HDAC7HDAC5CES2CES1

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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP 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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 LMNA 3246/4885HDAC4 2476/4885HDAC7 2673/4885

“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.