SCHEMBL3332523

SCHEMBL3332523

CC(C)OC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ PIK3CD O00329 2/20 0.46
▸ RECQL P46063 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GPR119 Q8TDV5 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE4B Q07343 1/20 0.41

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
SCHEMBL3332529 1.00 HPGD (0.47) HPGDUSP30PIK3CDRECQLEPHX1
SCHEMBL15802795 1.00 HPGD (0.47) HPGDUSP30PIK3CDRECQLEPHX1
SCHEMBL5271932 0.90 HPGD (0.53) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL19674641 0.89 PIK3CD (0.47) HPGDUSP30PIK3CDRECQLEPHX1
SCHEMBL19852541 0.88 USP30 (0.45) HPGDUSP30PIK3CDRECQLEPHX1
SCHEMBL12448246 0.87 NR1H2 (0.49) HPGDUSP30RECQLEPHX1PRMT5
SCHEMBL28597394 0.87 USP30 (0.46) HPGDUSP30PIK3CDRECQLEPHX1
SCHEMBL18839712 0.87 USP30 (0.46) HPGDUSP30PIK3CDRECQLEPHX1
SCHEMBL28585597 0.87 USP30 (0.46) HPGDUSP30PIK3CDRECQLEPHX1
SCHEMBL18839609 0.87 USP30 (0.46) HPGDUSP30PIK3CDRECQLEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 — — US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 — — US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 — — US disclosed
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 — — US disclosed
EP-2142537-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-01-13 — — EP disclosed
WO-2008115973-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 — — WO 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 (6 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 HPGD 2497/4885USP30 4594/4885PIK3CD 3100/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HPGD 2497/4885USP30 4594/4885PIK3CD 3100/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK HPGD 1949/4885USP30 2199/4885PIK3CD 149/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB HPGD 2881/4885USP30 1120/4885PIK3CD 64/4885
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB HPGD 3239/4885USP30 3038/4885PIK3CD 45/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 HPGD 3328/4885USP30 4405/4885PIK3CD 2735/4885

“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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