SCHEMBL22828288

SCHEMBL22828288

CCOC(=O)CC[C@H](NC(=O)[C@@H](CC)N(CC(=O)OC)c1ccc(Cl)cc1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ CCKBR P32239 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GLO1 Q04760 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 2/20 0.35
▸ DHFR P00374 3/20 0.35
▸ NOD2 Q9HC29 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL22828313 0.89 L3MBTL1 (0.45) L3MBTL1KMT2ACCKBRPOLBGLO1
SCHEMBL22828282 0.84 ALDH1A1 (0.40) KMT2AALDH1A1HPGDHSD17B10MAPT
SCHEMBL22828141 0.79 CHRNB2 (0.40) L3MBTL1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL22828289 0.75 ALDH1A1 (0.38) KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL22828124 0.74 ALDH1A1 (0.40) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL31229021 0.74 L3MBTL1 (0.44) L3MBTL1KMT2ACCKBRPOLBGLO1
SCHEMBL22828287 0.74 CHRNB2 (0.36) ALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL22828281 0.73 UTS2R (0.44) L3MBTL1ALDH1A1MAPT
SCHEMBL22828137 0.72 DPP7 (0.36) KMT2AALDH1A1HSD17B10
SCHEMBL22828143 0.72 UTS2R (0.42) ALDH1A1KDM4EMAPT

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-11377420-B2 Compositions and methods for making donor-acceptor azetines BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-05 — — US disclosed
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-24 — — 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-11377420-B2 Compositions and methods for making donor-acceptor azetines AZI2, AAAS, ZRANB2 L3MBTL1 1033/4885KMT2A 2097/4885CCKBR 1668/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 L3MBTL1 1033/4885KMT2A 2097/4885CCKBR 1668/4885

“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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