SCHEMBL30905697

SCHEMBL30905697

N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.61
GSTK1 Q9Y2Q3 1/20 0.61
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLO1 Q04760 2/20 0.39
MME P08473 5/20 0.38
ACE P12821 4/20 0.38
ECE1 P42892 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
NPEPPS P55786 1/20 0.38
KMT2A Q03164 1/20 0.38
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL31571920 0.90 PTGS1 (0.59) PTGS1GSTK1GLO1
SCHEMBL29637953 0.90 PTGS1 (0.64) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL30905702 0.89 PTGS1 (0.64) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL29671002 0.88 PTGS1 (0.47) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL30661089 0.87 PTGS1 (0.61) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL29538762 0.87 PTGS1 (0.54) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL29671487 0.87 PTGS1 (0.46) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL29499687 0.87 PTGS1 (0.46) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL30037966 0.85 PTGS1 (0.44) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL209654 0.84 PTGS1 (0.70) PTGS1GSTK1ALDH1A1MAPTLMNA

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-20250206802-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2025-06-26 US disclosed
US-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-04-11 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 (2 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-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 PTGS1 3990/4885GSTK1 3112/4885ALDH1A1 2700/4885
US-20250206802-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 PTGS1 3990/4885GSTK1 3112/4885ALDH1A1 2700/4885

“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.