SCHEMBL22828319

SCHEMBL22828319

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MDM2 Q00987 3/20 0.38
▸ MLYCD O95822 1/20 0.38
▸ NR1D1 P20393 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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 0.88 CHRNB2 (0.44) PTGS2ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL22828124 0.85 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2CHRNB2CHRNB4
SCHEMBL22828289 0.83 ALDH1A1 (0.38) PTGS2ALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL22828309 0.82 MAPT (0.40) PTGS2ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL22828125 0.82 CHRNB2 (0.40) PTGS2ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL29577072 0.82 ALDH1A1 (0.41) PTGS2ALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL22828121 0.81 KMT2A (0.46) ALDH1A1MEN1KMT2A
SCHEMBL22828141 0.78 CHRNB2 (0.40) PTGS2ALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL22828282 0.76 ALDH1A1 (0.40) ALDH1A1RAB9AHTTSMN1; SMN2HSD17B10
SCHEMBL6555727 0.75 CNR2 (0.40) ALDH1A1RAB9AMLYCDKMT2A

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 PTGS2 3573/4885ALDH1A1 140/4885RAB9A 1036/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 PTGS2 3573/4885ALDH1A1 140/4885RAB9A 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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