Sugi Predict

Sugi Predict / Compounds / SCHEMBL19202618

SCHEMBL19202618

SCHEMBL19202618

N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ FOLH1 Q04609 1/20 0.37
▸ BACE1 P56817 11/20 0.36
▸ BACE2 Q9Y5Z0 3/20 0.36
▸ BMP1 P13497 1/20 0.35
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ GLO1 Q04760 1/20 0.33
▸ CTSD P07339 1/20 0.33

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
SCHEMBL15507541 0.94 PTGS1 (0.39) PTGS1GSTK1FOLH1BACE1BACE2
SCHEMBL19202617 0.94 BMP1 (0.38) PTGS1GSTK1FOLH1BACE1BACE2
SCHEMBL23960986 0.92 BMP1 (0.36) PTGS1GSTK1FOLH1BACE1BACE2
SCHEMBL21586584 0.89 PTGS1 (0.38) PTGS1GSTK1FOLH1BACE1BACE2
SCHEMBL13011037 0.89 PTGS1 (0.36) PTGS1GSTK1FOLH1BACE1BACE2
SCHEMBL19202578 0.89 PTGS1 (0.37) PTGS1GSTK1FOLH1BACE1BACE2
SCHEMBL19202574 0.87 GLP1R (0.36) PTGS1GSTK1FOLH1BACE1BACE2
SCHEMBL19202581 0.85 GLP1R (0.38) PTGS1GSTK1FOLH1BMP1
SCHEMBL22546322 0.83 DPP4 (0.37) PTGS1GSTK1FOLH1BACE1BACE2
SCHEMBL13011397 0.83 SMN1; SMN2 (0.45) PTGS1GSTK1FOLH1BACE1BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330819-A1 DESIGN AND DEVELOPMENT OF NEUROKININ-1 RECEPTOR-BINDING AGENT DELIVERY CONJUGATES PURDUE RESEARCH FOUNDATION 2021-10-28 — — US disclosed
US-11141494-B2 Development of neurokinin-1 receptor-binding agent delivery conjugates PURDUE RESEARCH FOUNDATION (US) 2021-10-12 — — US disclosed
US-20170216465-A1 DESIGN AND DEVELOPMENT OF NEUROKININ-1 RECEPTOR-BINDING AGENT DELIVERY CONJUGATES PURDUE RESEARCH FOUNDATION 2017-08-03 — — 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 (3 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-11141494-B2 Development of neurokinin-1 receptor-binding agent delivery conjugates NTSR1, PROKR1, NPSR1 PTGS1 2824/4885GSTK1 1758/4885FOLH1 254/4885
US-20210330819-A1 DESIGN AND DEVELOPMENT OF NEUROKININ-1 RECEPTOR-BINDING AGENT DELIVERY CONJUGATES NTSR1, PROKR1, HUNK PTGS1 2908/4885GSTK1 694/4885FOLH1 710/4885
US-20170216465-A1 DESIGN AND DEVELOPMENT OF NEUROKININ-1 RECEPTOR-BINDING AGENT DELIVERY CONJUGATES NTSR1, PROKR1, TACR1 PTGS1 2777/4885GSTK1 1822/4885FOLH1 272/4885

“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.