SCHEMBL21461809

SCHEMBL21461809

NCCCC(NC(C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.49
HTR2A P28223 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
CPB2 Q96IY4 1/20 0.41
ACE P12821 1/20 0.41
C3AR1 Q16581 4/20 0.40
TLR2 O60603 1/20 0.39
FOLH1 Q04609 1/20 0.39
MME P08473 2/20 0.39

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
SCHEMBL16207519 1.00 HRH1 (0.49) HRH1HTR2ANAALAD2MMP2MMP9
SCHEMBL19100379 0.95 MMP2 (0.52) HRH1HTR2ANAALAD2MMP2MMP9
SCHEMBL22657404 0.95 MMP2 (0.52) HRH1HTR2ANAALAD2MMP2MMP9
SCHEMBL5869451 0.84 MME (0.53) NAALAD2ACEMME
SCHEMBL8249158 0.84 MME (0.53) NAALAD2ACEMME
SCHEMBL29017599 0.81 MMP2 (0.53) HRH1HTR2AMMP2MMP9CPB2
SCHEMBL7750537 0.81 NAALAD2 (0.70) NAALAD2MMP9FOLH1
SCHEMBL11125240 0.80 C3AR1 (0.48) NAALAD2C3AR1FOLH1
SCHEMBL28704598 0.77 NAALAD2 (0.42) NAALAD2MMP2MMP9C3AR1FOLH1
SCHEMBL7597310 0.77 NPY1R (0.52) HRH1HTR2ACPB2MME

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-20190313678-A1 SUGAR-DIPEPTIDE CONJUGATES AS FLAVOR MOLECULES Société des Produits Nestlé S.A. (CH) 2019-10-17 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-20190313678-A1 SUGAR-DIPEPTIDE CONJUGATES AS FLAVOR MOLECULES SLC5A1, DNPEP, TAS2R20 HRH1 2752/4885HTR2A 3355/4885NAALAD2 80/4885

“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.