SCHEMBL22828309

SCHEMBL22828309

COC(=O)CN(c1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ MMP2 P08253 3/20 0.37
▸ MMP9 P14780 3/20 0.37
▸ MLYCD O95822 1/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35

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
SCHEMBL22828314 0.87 TRPA1 (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL22828122 0.82 CHRNB2 (0.44) ALDH1A1MLYCDGRIN2DGRIN3BGRIN1
SCHEMBL22828319 0.82 PTGS2 (0.40) ALDH1A1MEN1KMT2AMLYCDRAB9A
SCHEMBL22828124 0.79 ALDH1A1 (0.40) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL22828121 0.78 KMT2A (0.46) MAPTALDH1A1MEN1KMT2A
SCHEMBL22828125 0.77 CHRNB2 (0.40) MAPTALDH1A1MMP2MMP9MLYCD
SCHEMBL29577072 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMMP2MMP9
SCHEMBL22828141 0.73 CHRNB2 (0.40) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL22828289 0.72 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL22828315 0.71 MMP2 (0.43) MEN1KMT2AMMP2MMP9

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 MAPT 3602/4885ALDH1A1 140/4885MEN1 1950/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 MAPT 3602/4885ALDH1A1 140/4885MEN1 1950/4885

“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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