SCHEMBL22044572

SCHEMBL22044572

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.45
▸ PTGS2 P35354 4/20 0.45
▸ FAAH O00519 2/20 0.41
▸ MGLL Q99685 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40

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
SCHEMBL22223321 0.91 PTGS1 (0.61) PTGS1PTGS2FAAHMGLLNPSR1
SCHEMBL22388815 0.89 ITGB3 (0.38) PTGS1PTGS2FAAHMGLLNPSR1
SCHEMBL22223319 0.89 PTGS1 (0.48) PTGS1PTGS2FAAHMGLLNPSR1
SCHEMBL23736436 0.88 PTGS1 (0.44) PTGS1PTGS2FAAHMGLLNPSR1
SCHEMBL22044568 0.88 PTGS1 (0.36) PTGS1PTGS2FAAHMGLLNPSR1
SCHEMBL25130460 0.84 PTGS1 (0.46) PTGS1PTGS2FAAHMGLLNPSR1
SCHEMBL22044504 0.84 PTGS1 (0.46) PTGS1PTGS2FAAHMGLLNPSR1
SCHEMBL22045035 0.84 AKT1 (0.48) PTGS1PTGS2NPSR1ITGB3ITGA2B
SCHEMBL22389098 0.84 ALB (0.47) PTGS1PTGS2FNTAFNTBFOLH1
SCHEMBL24589079 0.84 PTGS1 (0.43) PTGS1PTGS2FAAHMGLLNPSR1

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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 — — US disclosed
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 — — 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 (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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 PTGS1 4236/4885PTGS2 4787/4885FAAH 4550/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 PTGS1 4236/4885PTGS2 4787/4885FAAH 4550/4885
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 PTGS1 4362/4885PTGS2 4587/4885FAAH 4519/4885

“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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