SCHEMBL31369963

SCHEMBL31369963

N[C@@H](CCS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
PMP22 Q01453 1/20 0.49
KIF11 P52732 3/20 0.47
POLB P06746 1/20 0.47
GRIK1 P39086 1/20 0.46
GCLC P48506 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL4430587 0.84 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27255055 0.83 PMP22 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10803429 0.79 ALDH1A1 (0.48) MMP1MMP2MMP3MMP7MMP9
SCHEMBL31661813 0.77 GCLC (0.62) PTGS1SLC1A3SLC1A2SLC1A1PMP22
SCHEMBL27111342 0.77 ALDH1A1 (0.55) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8291801 0.76 HPGD (0.48) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL44311 0.76 ALPI (0.64) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL130567 0.76 ALPI (0.64) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL44312 0.76 ALPI (0.64) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL1078733 0.76 ALPI (0.64) ALPIPKMPTGS1XIAPSLC7A5

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ALPI 4682/4885PKM 3898/4885PTGS1 4090/4885

“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.