SCHEMBL22828124

SCHEMBL22828124

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ MDM2 Q00987 3/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL22828122 0.90 CHRNB2 (0.44) ALDH1A1SMN1; SMN2RAB9ATDP1CHRNB2
SCHEMBL22828125 0.87 CHRNB2 (0.40) ALDH1A1SMN1; SMN2RAB9AMAPTCHRNB2
SCHEMBL22828282 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9ATDP1MAPT
SCHEMBL22828319 0.85 PTGS2 (0.40) ALDH1A1SMN1; SMN2RAB9AKMT2ACHRNB2
SCHEMBL22828313 0.82 L3MBTL1 (0.45) ALDH1A1MAPTKMT2AMDM2
SCHEMBL22828141 0.81 CHRNB2 (0.40) ALDH1A1SMN1; SMN2RAB9ATDP1KMT2A
SCHEMBL6555981 0.80 CNR2 (0.40) ALDH1A1SMN1; SMN2TDP1MAPTLMNA
SCHEMBL6555980 0.80 CNR2 (0.40) ALDH1A1SMN1; SMN2TDP1MAPTLMNA
SCHEMBL22828309 0.79 MAPT (0.40) ALDH1A1SMN1; SMN2RAB9AMAPTKMT2A
SCHEMBL29577072 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9ATDP1KMT2A

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 ALDH1A1 140/4885SMN1; SMN2 752/4885RAB9A 1036/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 ALDH1A1 140/4885SMN1; SMN2 752/4885RAB9A 1036/4885

“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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