SCHEMBL18909648

SCHEMBL18909648

C[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.69
ACE P12821 2/20 0.66
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP14 P50281 1/20 0.61
ANPEP P15144 2/20 0.60
IL1RN P18510 2/20 0.60
ERAP2 Q6P179 2/20 0.60

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
SCHEMBL23380923 0.89 ECE1 (0.69) ECE1ACEKDM4EMAPTMMP2
SCHEMBL19929604 0.88 ECE1 (0.77) ECE1ACEMMP9MMP8
SCHEMBL2183808 0.88 ECE1 (0.64) ECE1ACEMMP2MMP9MMP8
SCHEMBL2183816 0.88 ECE1 (0.64) ECE1ACEMMP2MMP9MMP8
SCHEMBL30799684 0.88 ECE1 (0.64) ECE1
SCHEMBL22133113 0.88 ECE1 (0.64) ECE1
SCHEMBL13725698 0.88 ECE1 (0.64) ECE1
SCHEMBL13784699 0.87 ECE1 (0.69) ECE1ACEKDM4EMAPTMMP2
SCHEMBL8905663 0.86 ECE1 (0.74) ECE1ACEMMP9MMP8ANPEP
SCHEMBL16566050 0.86 ECE1 (0.74) ECE1ACEMMP9MMP8ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170151339-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TVA (ABC), LLC 2017-06-01 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-20170151339-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF CD47, CD44, FURIN ECE1 1262/4885ACE 1490/4885KDM4E 4628/4885

“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.