SCHEMBL2203259

SCHEMBL2203259

C=CCCC(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
FAAH O00519 6/20 0.36
MGLL Q99685 3/20 0.36
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.32
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ABCC4 O15439 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2207330 0.90 MAPT (0.35) MAPTFAAHMGLLTSHRLMNA
SCHEMBL11599817 0.85 MAPT (0.37) MAPTFAAHTSHRCYP3A4TDP1
SCHEMBL2784436 0.83 MAPT (0.38) MAPTTSHRLMNAALDH1A1HPGD
SCHEMBL7056636 0.81 CYP1A2 (0.45) MAPT
SCHEMBL6848208 0.81 MAPT (0.35) MAPT
SCHEMBL335124 0.80 CHRM1 (0.41) MAPTFAAHTDP1
SCHEMBL8342772 0.79 TDP1 (0.39) MAPTFAAHTSHRLMNAUSP2
SCHEMBL334795 0.78 MAPT (0.44) MAPTFAAHTSHRALDH1A1TDP1
SCHEMBL6910766 0.77 CA2 (0.47) MAPTFAAHTSHRCYP3A4TDP1
SCHEMBL28162523 0.77 TSHR (0.39) MAPTFAAHMGLLTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9090628-B2 Benzoxazepin compounds selective for PI3K P110 delta and methods of use GENENTECH, INC. (US) 2015-07-28 US disclosed
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE GENENTECH, INC. (US) 2012-09-27 US disclosed
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 US disclosed
WO-2007096261-A2 PROCESS FOR THE PREPARATION OF DIOXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197615-A1 Process for the preparation of the PPAR alpha agonist NS-220 HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20040142945-A1 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 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 (5 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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S MAPT 4840/4885FAAH 1258/4885MGLL 4248/4885
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE PIK3CA, PIK3CD, PIK3R4 MAPT 2831/4885FAAH 941/4885MGLL 3386/4885
US-20040142945-A1 Fused heterocyclic compounds and use thereof MCL1, NFATC1, BCR MAPT 4828/4885FAAH 1253/4885MGLL 4360/4885
US-20070197615-A1 Process for the preparation of the PPAR alpha agonist NS-220 PPARD, PPARA, PPARG MAPT 4624/4885FAAH 517/4885MGLL 637/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R MAPT 4815/4885FAAH 1284/4885MGLL 4373/4885

“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.