SCHEMBL22657404

SCHEMBL22657404

NCCCC[C@H](NC(C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.47
ACE P12821 3/20 0.45
CPB2 Q96IY4 2/20 0.45
FOLH1 Q04609 1/20 0.44
TLR2 O60603 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL19100379 1.00 MMP2 (0.52) MMP2MMP9NAALAD2ACECPB2
SCHEMBL21461809 0.95 HRH1 (0.49) MMP2MMP9NAALAD2ACECPB2
SCHEMBL16207519 0.95 HRH1 (0.49) MMP2MMP9NAALAD2ACECPB2
SCHEMBL29017599 0.86 MMP2 (0.53) MMP2MMP9ACECPB2FOLH1
SCHEMBL8249158 0.83 MME (0.53) NAALAD2ACECA2
SCHEMBL5869451 0.83 MME (0.53) NAALAD2ACECA2
SCHEMBL18668639 0.80 MMP2 (0.48) MMP2MMP9ACECPB2FOLH1
SCHEMBL7750537 0.80 NAALAD2 (0.70) MMP9NAALAD2FOLH1
SCHEMBL16599215 0.79 MMP2 (0.50) MMP2MMP9ACECPB2FOLH1
SCHEMBL11125240 0.79 C3AR1 (0.48) NAALAD2FOLH1PRSS1

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-20220146518-A1 TAG FOR LABELING BIOMOLECULES SHANGHAI POLARIS BIOLOGY CO., LTD. (CN) 2022-05-12 US disclosed
WO-2020228734-A1 A TAG FOR LABELING BIOMOLECULES SHANGHAI POLARIS BIOLOGY CO., LTD. (CN) 2020-11-19 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-20220146518-A1 TAG FOR LABELING BIOMOLECULES BTD, DNPEP, ALB MMP2 2951/4885MMP9 3635/4885NAALAD2 91/4885

“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.