SCHEMBL987722

SCHEMBL987722

CCOC(=O)CCCOc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.56
CYSLTR1 Q9Y271 3/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 5/20 0.53
LMNA P02545 2/20 0.53
BRD4 O60885 1/20 0.53
FAAH O00519 1/20 0.53
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
PDK2 Q15119 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
EGFR P00533 1/20 0.47
ERBB3 P21860 1/20 0.47

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
SCHEMBL4842029 0.93 KDM4E (0.55) CYSLTR2CYSLTR1ALDH1A1MAPTKMT2A
SCHEMBL29976920 0.85 KDM4E (0.59) ALDH1A1MAPTKMT2ATDP1KDM4E
SCHEMBL12272227 0.85 KDM4E (0.59) ALDH1A1MAPTKMT2ATDP1KDM4E
SCHEMBL10054169 0.85 L3MBTL1 (0.62) CYSLTR2CYSLTR1ALDH1A1MAPTKMT2A
SCHEMBL19510935 0.84 BRD4 (0.55) CYSLTR2CYSLTR1LMNABRD4FAAH
SCHEMBL30350748 0.84 BRD4 (0.55) CYSLTR2CYSLTR1LMNABRD4FAAH
SCHEMBL30350621 0.84 BRD4 (0.55) CYSLTR2CYSLTR1LMNABRD4FAAH
SCHEMBL3173429 0.84 CYSLTR2 (0.60) CYSLTR2CYSLTR1ALDH1A1TDP1KDM4E
SCHEMBL8955658 0.84 CYSLTR2 (0.63) CYSLTR2CYSLTR1ALDH1A1TDP1BRD4
SCHEMBL12698684 0.84 ALDH1A1 (0.67) CYSLTR2CYSLTR1ALDH1A1KMT2ATDP1

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
US-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
US-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 EP disclosed
EP-1594494-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
EP-1594495-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040224939-A1 Antibacterial agents CHUPAK LOUIS S (US) 2004-11-11 US disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004069245-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
WO-2004069244-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 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 (3 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-20040224939-A1 Antibacterial agents MRPL21, RPN2, FBL CYSLTR2 3473/4885CYSLTR1 2767/4885ALDH1A1 637/4885
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 CYSLTR2 1243/4885CYSLTR1 2466/4885ALDH1A1 4638/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA CYSLTR2 1460/4885CYSLTR1 1508/4885ALDH1A1 4242/4885

“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.