SCHEMBL22828314

SCHEMBL22828314

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.39
▸ MAPT P10636 1/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MDM2 Q00987 6/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TAAR1 Q96RJ0 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
SCHEMBL22828309 0.87 MAPT (0.40) TRPA1MAPTMMP2MMP9MDM2
SCHEMBL22828139 0.84 HSD17B10 (0.37) TRPA1MAPTMMP2MMP9MDM2
SCHEMBL22828318 0.79 KMT2A (0.34) MMP2MMP9MEN1KMT2AMAOB
SCHEMBL22828315 0.73 MMP2 (0.43) MMP2MMP9MEN1KMT2A
SCHEMBL22828311 0.73 DRD2 (0.38) MAPTMEN1KMT2AL3MBTL1MAPK1
SCHEMBL22828317 0.72 ALDH1A1 (0.40) MAPTMMP2MMP9MEN1KMT2A
SCHEMBL22828312 0.72 ALDH1A1 (0.54) MAPTKMT2AALDH1A1
SCHEMBL22828319 0.70 PTGS2 (0.40) MDM2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL22828316 0.68 TAAR1 (0.38) MAPTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL22828122 0.68 CHRNB2 (0.44) MDM2HSD17B10ALDH1A1L3MBTL1TAAR1

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 TRPA1 3890/4885MAPT 3602/4885MMP2 4601/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 TRPA1 3890/4885MAPT 3602/4885MMP2 4601/4885

“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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