SCHEMBL22044568

SCHEMBL22044568

O=C(CCCN1C(=O)C=CC1O)NC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.36
▸ PTGS2 P35354 4/20 0.36
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ DUT P33316 1/20 0.33
▸ FNTA P49354 2/20 0.32
▸ FNTB P49356 2/20 0.32
▸ FOLH1 Q04609 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FAAH O00519 2/20 0.31
▸ MGLL Q99685 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL22044572 0.88 PTGS1 (0.45) PTGS1PTGS2ITGB3ITGA2BITGAV
SCHEMBL24864576 0.87 PTGS1 (0.39) PTGS1PTGS2NPSR1KMT2AFAAH
SCHEMBL22852572 0.82 NPSR1 (0.34) ITGB3ITGA2BFNTAFNTBFOLH1
SCHEMBL22388815 0.81 ITGB3 (0.38) PTGS1PTGS2ITGB3ITGA2BITGAV
SCHEMBL22223321 0.80 PTGS1 (0.61) PTGS1PTGS2FOLH1NPSR1FAAH
SCHEMBL23964055 0.78 PTGS1 (0.41) PTGS1PTGS2
SCHEMBL22223319 0.78 PTGS1 (0.48) PTGS1PTGS2FOLH1NPSR1FAAH
SCHEMBL23736436 0.77 PTGS1 (0.44) PTGS1PTGS2FNTAFNTBNPSR1
SCHEMBL23813904 0.76 NOD1 (0.36) FOLH1
SCHEMBL21766255 0.74 MGLL (0.52) PTGS1PTGS2NPSR1FAAHMGLL

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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 — — US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 — — 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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 PTGS1 4236/4885PTGS2 4787/4885ITGB3 447/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 PTGS1 4236/4885PTGS2 4787/4885ITGB3 447/4885

“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.

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