Sugi Predict

Sugi Predict / Compounds / SCHEMBL14839503

SCHEMBL14839503

SCHEMBL14839503

CC(C)(C)OC(=O)N1CCOC=C1c1cccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.43
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ KMO O15229 2/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 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
SCHEMBL14839844 0.87 CKS1B (0.43) USP30GPR119CKS1BSKP1SKP2
SCHEMBL14833042 0.86 ESR2 (0.42) USP30CRBNPRKDCNPC1RAB9A
SCHEMBL14839535 0.86 HDAC4 (0.39) USP30GPR119MEN1KMT2ALMNA
SCHEMBL14839500 0.83 MEN1 (0.40) USP30GPR119MEN1NPC1RAB9A
SCHEMBL14839868 0.82 HRH2 (0.39) USP30PRKDCGPR119
SCHEMBL14839556 0.78 ESR2 (0.42) USP30GPR119MEN1KMT2ALMNA
SCHEMBL14839670 0.78 NAAA (0.43) USP30FAAHNAAAGPR119NPC1
SCHEMBL14839570 0.77 GPR119 (0.42) USP30GPR119POLBLMNA
SCHEMBL14839606 0.77 HDAC1 (0.47) USP30GPR119MEN1NPC1RAB9A
SCHEMBL31224635 0.75 HSP90AA1 (0.36) USP30MEN1POLBKMT2ACKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751088-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2016-04-13 — — EP disclosed
EP-2751088-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2016-04-13 — — EP disclosed
US-8765751-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 — — US disclosed
US-8765751-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 — — US disclosed
US-8765751-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 — — US disclosed
US-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — US disclosed
US-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — US disclosed
US-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — US disclosed
WO-2013049719-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 — — 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 (1 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-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, PLK1 USP30 1178/4885RXRA 4222/4885RXRB 4158/4885

“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.