SCHEMBL536847

SCHEMBL536847

CCOC(=O)C(C(=O)OCC)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 2/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TARBP2 Q15633 1/20 0.41

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
Ether SCHEMBL28330463 0.95 MMP8 (0.51) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL999787 0.91 MMP8 (0.55) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL12740250 0.91 MMP8 (0.51) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL271585 0.90 MMP8 (0.59) MMP8KMT2AMEN1LMNAMAPK1
SCHEMBL29134320 0.89 MMP8 (0.47) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL20930834 0.86 KMT2A (0.50) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL20645605 0.85 MMP8 (0.47) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL11598177 0.85 LMNA (0.49) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL13228049 0.84 MMP8 (0.46) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL999785 0.84 ALDH1A1 (0.56) MMP8KMT2AMEN1CYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
CN-108997223-B Preparation method of 5- (4-bromophenyl) -4, 6-dichloropyrimidine 浙江先锋科技股份有限公司 2020-06-30 CN disclosed
CN-110520413-A Big ring broad-spectrum antibiotic RQX PHARMACEUTICALS INC 2019-11-29 CN disclosed
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US disclosed
WO-2007087066-A2 1-(BENZO [D] [1,3] DI0X0L-5-YL) -N- (PHENYL) CYCLOPROPANE- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO disclosed
WO-2007087066-A2 1-(BENZO [D] [1,3] DI0X0L-5-YL) -N- (PHENYL) CYCLOPROPANE- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO disclosed
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP disclosed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US disclosed
CN-1238347-C Heterocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2006-01-25 CN disclosed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 WO disclosed
CN-1430612-A Hete rocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2003-07-16 CN disclosed
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
US-5571449-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-11-05 US disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 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 (4 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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 MMP8 4481/4885KMT2A 3988/4885MEN1 3223/4885
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders TPH2, HTR1A, TPH1 MMP8 4855/4885KMT2A 613/4885MEN1 525/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MMP8 574/4885KMT2A 3283/4885MEN1 2531/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MMP8 574/4885KMT2A 3283/4885MEN1 2531/4885

“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.