SCHEMBL3264014

SCHEMBL3264014

COC(=O)C=C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
RECQL P46063 1/20 0.33
PRKCA P17252 2/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MGLL Q99685 1/20 0.31
ESR2 Q92731 1/20 0.30
SPR P35270 1/20 0.30

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
SCHEMBL25281978 0.88 HCAR2 (0.34) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL19342207 0.88 HCAR2 (0.34) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL518574 0.84
SCHEMBL873013 0.80 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL620969 0.80
SCHEMBL1563963 0.79 ESR2 (0.50) TSHRHCAR2ALDH1A1MAPTRECQL
SCHEMBL7300563 0.79 USP2 (0.41) MAPTRECQLMEN1LMNAKMT2A
SCHEMBL13210062 0.79 HCAR2 (0.38) TSHRHCAR2MEN1KMT2A
SCHEMBL431512 0.78
SCHEMBL106091 0.78 TSHR (0.41) TSHRHCAR2KEAP1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441588-B2 Methods and compositions for treating bacterial infection CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-10-15 US disclosed
EP-2844258-B1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION UNIV MICHIGAN REGENTS (US) 2019-09-11 EP disclosed
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180042928-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION Nanova, Inc. 2018-02-15 US disclosed
EP-3256452-A1 INHIBITORS OF NECROPTOSIS Catalyst Therapeutics Pty Ltd. (AU) 2017-12-20 EP disclosed
US-9814719-B2 Methods and compositions for treating bacterial infection CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2017-11-14 US disclosed
US-20170056405-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION THE CURATORS OF THE UNIVERSITY OF MISSOURI 2017-03-02 US disclosed
US-7125870-B2 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
EP-1648868-A1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS Celltech R & D Limited (GB) 2006-04-26 EP disclosed
EP-1641771-A1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS Celltech R & D Limited (GB) 2006-04-05 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 US disclosed
WO-2004113298-A1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS CELLTECH R & D LIMITED (GB) 2004-12-29 WO disclosed
WO-2004113312-A1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS CELLTECH R & D LIMITED (GB) 2004-12-29 WO disclosed
US-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US disclosed
WO-2004043349-A2 ISOXAZOLINE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME 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 (6 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-10441588-B2 Methods and compositions for treating bacterial infection MMP8, CUTA, ELANE TSHR 4848/4885HCAR2 1470/4885KEAP1 2239/4885
US-20170056405-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION MMP8, RHOA, EPCAM TSHR 4852/4885HCAR2 2749/4885KEAP1 1047/4885
US-20180042928-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION MMP8, CUTA, ELANE TSHR 4848/4885HCAR2 1470/4885KEAP1 2239/4885
US-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP2, MMP1, MMP9 TSHR 1507/4885HCAR2 801/4885KEAP1 4061/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 TSHR 1167/4885HCAR2 42/4885KEAP1 1326/4885
US-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 TSHR 4108/4885HCAR2 1923/4885KEAP1 1268/4885

“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.