SCHEMBL21826705

SCHEMBL21826705

O=C(O[C@@H]1CCN(C(=O)O)C1)ON1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.34
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL21826217 1.00 MGLL (0.34) MGLLCCNE1CDK2GSK3BNPC1
SCHEMBL21826214 1.00 MGLL (0.34) MGLLCCNE1CDK2GSK3BNPC1
SCHEMBL22370742 0.85 BTK (0.38) MGLL
SCHEMBL28672971 0.81 EPHX1 (0.43) NPC1RAB9A
SCHEMBL28679422 0.81 EPHX1 (0.43) NPC1RAB9A
SCHEMBL28672973 0.81 EPHX1 (0.43) NPC1RAB9A
SCHEMBL24300277 0.80 JAK2 (0.35) —
SCHEMBL20469204 0.79 CCNE1 (0.38) MGLLCCNE1CDK2GSK3B
SCHEMBL7051016 0.78 EPHX1 (0.45) NPC1RAB9AKMT2A
SCHEMBL561595 0.76 EPHX1 (0.39) MGLLCCNE1CDK2GSK3B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 — — US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 — — EP disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 — — 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 (4 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL MGLL 3368/4885CCNE1 2330/4885CDK2 2358/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL MGLL 3368/4885CCNE1 2330/4885CDK2 2358/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 MGLL 3393/4885CCNE1 2908/4885CDK2 2798/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 MGLL 3393/4885CCNE1 2908/4885CDK2 2798/4885

“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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