SCHEMBL22828282

SCHEMBL22828282

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ PPARA Q07869 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
SCHEMBL22828141 0.92 CHRNB2 (0.40) ALDH1A1SMN1; SMN2RAB9ATDP1KMT2A
SCHEMBL22828287 0.88 CHRNB2 (0.36) ALDH1A1SMN1; SMN2RAB9AMAPTMCOLN3
SCHEMBL22828289 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9AEPHX2TDP1
SCHEMBL22828124 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9AEPHX2TDP1
SCHEMBL22828288 0.84 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTHPGD
SCHEMBL22828286 0.79 TRPV1 (0.43) ALDH1A1
SCHEMBL22828122 0.79 CHRNB2 (0.44) ALDH1A1SMN1; SMN2RAB9ATDP1HSD17B10
SCHEMBL29577072 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9ATDP1KMT2A
SCHEMBL22828143 0.78 UTS2R (0.42) ALDH1A1MAPTCA12CA1CA2
SCHEMBL22828319 0.76 PTGS2 (0.40) ALDH1A1SMN1; SMN2RAB9AKMT2AHSD17B10

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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