SCHEMBL21877336

SCHEMBL21877336

O=C(O)N[C@@H]1CC[C@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ ACE P12821 1/20 0.41
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SELL P14151 2/20 0.39
▸ SELP P16109 2/20 0.39
▸ SELE P16581 2/20 0.39
▸ GABRR1 P24046 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PLG P00747 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PDE7A Q13946 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 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
SCHEMBL23751427 0.88 SELL (0.47) EPHX2ALDH1A1SELLSELPSELE
SCHEMBL23751426 0.88 SELL (0.47) EPHX2ALDH1A1SELLSELPSELE
SCHEMBL15970550 0.85 POLB (0.41) BTKEPHX2ALDH1A1POLB
SCHEMBL5007222 0.85 POLB (0.41) BTKEPHX2ALDH1A1POLB
SCHEMBL2370755 0.82 ATM (0.48) BTKEPHX2ACEAKR1C3AKR1C1
SCHEMBL18038251 0.82 ATM (0.48) BTKEPHX2ACEAKR1C3AKR1C1
SCHEMBL18038167 0.82 ATM (0.48) BTKEPHX2ACEAKR1C3AKR1C1
SCHEMBL1543589 0.82 FASN (0.38) BTKEPHX2ALDH1A1POLB
SCHEMBL2405013 0.82 MME (0.43) BTKEPHX2GAATSHRPOLB
SCHEMBL23825900 0.82 FASN (0.38) BTKEPHX2ALDH1A1POLB

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-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 — — US disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 — — 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-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity MELK, TK1, DCK BTK 2370/4885EPHX2 3334/4885ACE 3084/4885
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF PAICS, MCL1, TP53 BTK 1354/4885EPHX2 3802/4885ACE 1851/4885

“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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