SCHEMBL22828281

SCHEMBL22828281

CC[C@H](C(=O)N[C@@H](CO)c1ccccc1)N(CC(=O)OC)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 4/20 0.44
▸ GPR88 Q9GZN0 11/20 0.44
▸ RIPK1 Q13546 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22828143 0.80 UTS2R (0.42) UTS2RALDH1A1LMNAMAPT
SCHEMBL22828289 0.79 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL22828141 0.78 CHRNB2 (0.40) ALDH1A1TDP1L3MBTL1
SCHEMBL22828282 0.76 ALDH1A1 (0.40) ALDH1A1LMNAMAPTNPSR1TDP1
SCHEMBL22827991 0.76 KDM4E (0.44) ALDH1A1MAPT
SCHEMBL22828287 0.75 CHRNB2 (0.36) ALDH1A1MAPT
SCHEMBL22828288 0.73 L3MBTL1 (0.44) ALDH1A1MAPTL3MBTL1
SCHEMBL22828319 0.69 PTGS2 (0.40) ALDH1A1
SCHEMBL1274406 0.69 RIPK1 (0.56) GPR88RIPK1
SCHEMBL4564487 0.69 RIPK1 (0.56) GPR88RIPK1

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 UTS2R 688/4885GPR88 2502/4885RIPK1 4617/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 UTS2R 688/4885GPR88 2502/4885RIPK1 4617/4885

“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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