Sugi Predict

Sugi Predict / Compounds / SCHEMBL15629454

SCHEMBL15629454

SCHEMBL15629454

CC(C)(C)OC(=O)C[C@@H](CCCF)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2D6 P10635 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CPB2 Q96IY4 4/20 0.34
▸ FOLH1 Q04609 2/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ AKR1A1 P14550 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32

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
SCHEMBL18634548 0.85 MEN1 (0.45) MEN1GAAKMT2ACYP2D6CA2
SCHEMBL1915651 0.84 CA2 (0.55) MEN1GAAKMT2ACYP2D6CA2
SCHEMBL1915653 0.84 CA2 (0.55) MEN1GAAKMT2ACYP2D6CA2
SCHEMBL4839844 0.83 MEN1 (0.47) MEN1GAAKMT2ACYP2D6CA2
SCHEMBL6161064 0.83 GRIK1 (0.49) MEN1GAAKMT2ACA2MAPK1
SCHEMBL12543286 0.83 MEN1 (0.42) MEN1GAAKMT2ACYP2D6CA2
SCHEMBL6161042 0.83 GRIK1 (0.49) MEN1GAAKMT2ACA2MAPK1
SCHEMBL16403067 0.83 MEN1 (0.42) MEN1GAAKMT2ACYP2D6CA2
SCHEMBL6448846 0.82 HDAC1 (0.54) MEN1GAAKMT2ACYP2D6CA2
SCHEMBL17762302 0.82 MEN1 (0.45) MEN1GAAKMT2ACYP2D6CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9427442-B2 Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 — — US disclosed
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-03-03 — — US disclosed
US-9273014-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
US-9273075-B2 Prodrugs of 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
US-9249157-B2 Tricyclic heterocycle compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 — — US disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — US disclosed
US-9242940-B2 N-substituted bis(fluoroalkyl)-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — US disclosed
US-9187434-B2 Substituted 1,5-benzodiazepinones compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 — — US disclosed
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 — — US disclosed
US-20150246930-A1 TRICYCLIC HETEROCYCLE COMPOUNDS BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-03 — — US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 — — US disclosed
US-20150232491-A1 PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-08-20 — — US disclosed
US-20150231152-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-08-20 — — US disclosed
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 — — US disclosed
US-8999918-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 — — US disclosed
US-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 — — 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 (8 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-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB MEN1 1075/4885GAA 4215/4885KMT2A 733/4885
US-20150232491-A1 PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS CNR1, RXFP1, CNR2 MEN1 614/4885GAA 3846/4885KMT2A 892/4885
US-20150246930-A1 TRICYCLIC HETEROCYCLE COMPOUNDS RCOR3, NR4A3, NCOA3 MEN1 1466/4885GAA 4844/4885KMT2A 1392/4885
US-20150231152-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, HRH3 MEN1 1404/4885GAA 4545/4885KMT2A 605/4885
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 MEN1 1197/4885GAA 4151/4885KMT2A 663/4885
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 MEN1 643/4885GAA 4642/4885KMT2A 710/4885
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, CNKSR1 MEN1 1682/4885GAA 4787/4885KMT2A 896/4885
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB MEN1 1075/4885GAA 4215/4885KMT2A 733/4885

“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.