SCHEMBL4878853

SCHEMBL4878853

C[C@@H](CC(=O)O)NCc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
KMT2A Q03164 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
PSMB5 P28074 1/20 0.48
ANPEP P15144 1/20 0.47
CYP1A2 P05177 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
ATM Q13315 1/20 0.46
CTNNB1 P35222 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL4878561 1.00 TDP1 (0.67) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL4878574 1.00 TDP1 (0.67) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL4849429 0.86 TDP1 (0.68) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL15741913 0.82 KMT2A (0.63) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL15797480 0.80 KMT2A (0.59) TDP1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL21643605 0.78 KMT2A (0.58) TDP1KMT2AKDM4EALDH1A1ANPEP
SCHEMBL8803006 0.78 KMT2A (0.58) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL7651877 0.78 TDP1 (0.52) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL7654481 0.78 TDP1 (0.52) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL20495654 0.77 KMT2A (0.56) TDP1KMT2AKDM4EALDH1A1MEN1

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
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 TDP1 4734/4885KMT2A 4504/4885KDM4E 4728/4885

“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.