SCHEMBL14839670

SCHEMBL14839670

CC(C)(C)OC(=O)N1CCOC=C1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
FAAH O00519 2/20 0.40
USP30 Q70CQ3 1/20 0.39
BTK Q06187 6/20 0.38
TNK2 Q07912 2/20 0.38
KDM1A O60341 1/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 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 0.90 CKS1B (0.43) USP30KDM1ACKS1BSKP1SKP2
SCHEMBL14839500 0.86 MEN1 (0.40) USP30HSD17B10CKS1BSKP1SKP2
SCHEMBL14839535 0.84 HDAC4 (0.39) USP30KMT2ASMN1; SMN2GPR119
SCHEMBL14839959 0.84 TSHR (0.38) NAAAFAAHKDM1AHSD17B10KMT2A
SCHEMBL14839556 0.84 ESR2 (0.42) USP30KDM1AKMT2ASMN1; SMN2GPR119
SCHEMBL14839570 0.81 GPR119 (0.42) USP30POLBSMN1; SMN2GPR119
SCHEMBL14840026 0.80 GPR119 (0.46) GPR119
SCHEMBL14839606 0.80 HDAC1 (0.47) USP30HSD17B10NPC1RAB9AKMT2A
SCHEMBL14840032 0.80 MAPK1 (0.38) USP30KDM1ASMN1; SMN2GPR119
SCHEMBL14839520 0.79 PTPN2 (0.46) USP30L3MBTL1NPC1KMT2ASMN1; SMN2

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
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

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 NAAA 3646/4885FAAH 3330/4885USP30 1178/4885

“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.