SCHEMBL2368458

SCHEMBL2368458

CC(=O)CC(=O)OCCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
TRPA1 O75762 2/20 0.46
FAAH O00519 2/20 0.41
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL7362620 0.86 FAAH (0.47) GAAMGAMSIMGAM2TRPA1
SCHEMBL2701579 0.85 GAA (0.60) GAAMGAMSIMGAM2TRPA1
SCHEMBL2521741 0.85 MGAM (0.46) GAAMGAMSIMGAM2TRPA1
SCHEMBL28875528 0.83 FAAH (0.53) GAAMGAMSIMGAM2TRPA1
SCHEMBL27853441 0.83 FAAH (0.53) GAAMGAMSIMGAM2TRPA1
SCHEMBL28136427 0.83 FAAH (0.53) GAAMGAMSIMGAM2TRPA1
SCHEMBL28021506 0.83 FAAH (0.53) GAAMGAMSIMGAM2TRPA1
SCHEMBL28040109 0.82
Water SCHEMBL2703341 0.82 GAA (0.57) GAAMGAMSIMGAM2TRPA1
SCHEMBL649327 0.80 MGAM (0.55) GAAMGAMSIMGAM2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995584-B Preparation method of oxalagrill intermediate 常州工学院 2022-03-29 CN disclosed
CN-113372292-A Preparation method of ceftazidime side chain acid 山东昌邑四方医药化工有限公司 2021-09-10 CN disclosed
CN-111995584-A Preparation method of oxalagrill intermediate 常州工学院 2020-11-27 CN disclosed
CN-105837635-A Preparation method of minodronic acid for treating osteoporosis 青岛辰达生物科技有限公司 2016-08-10 CN disclosed
CN-103351322-B A kind of synthetic method of oxiracetam GUANG'AN KINGDAY PHARM & CHEMICAL CO., LTD. (CN) 2015-11-25 CN disclosed
CN-102939290-B 2,3-dihydro-1H-indenes-1-base-2,7-diaza spiro [3.5] nonane derivatives and as the antagonist of growth hormone-releasing peptide acceptor or the purposes of inverse agonist PFIZER INC. (US) 2015-09-16 CN disclosed
CN-103201260-B Drug derivatives REDX PHARMA LTD 2015-05-27 CN disclosed
CN-104334193-A Use of ghrelin receptor inverse agonists or antagonists for the treatment of sleep disorders PFIZER 2015-02-04 CN disclosed
CN-103534257-A Pyrrolo [2, 3 -d] pyrimidine derivatives as inhibitors of tropomyosin- related kinases PFIZER 2014-01-22 CN disclosed
CN-103351322-A Synthetic method of oxiracetam GUANG AN KINGDAY PHARM & CHEMICAL CO LTD 2013-10-16 CN disclosed
EP-2367825-A1 Fused imidazole carboxamides as trpv3 modulators Glenmark Pharmaceuticals S.A. (CH) 2011-09-28 EP disclosed
CN-102002016-A Improvement method for synthesizing febuxostat BEIJING MEIDI KANGXIN MEDICAL TECHNOLOGY CO LTD 2011-04-06 CN disclosed
WO-2010070452-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-06-24 WO disclosed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 US disclosed
EP-0371492-B1 Process for the preparation of 1,4-dihydropyridine derivatives NISSHIN FLOUR MILLING CO (JP) 1995-06-21 EP disclosed
US-4994461-A Vasodilators; treating cardiovascular disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-02-19 US disclosed
EP-0371492-A2 Process for the preparation of 1,4-dihydropyridine derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-06-06 EP disclosed
US-4472411-A 1,4-Dihydropyridine derivatives and use as vasodilators TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0092936-A1 1,4-Dihydropyridine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-11-02 EP disclosed
US-4146509-A ORGANIC AMMONIUM COMPOUNDS USED AS POLYMERIZATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 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 (1 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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 GAA 3758/4885MGAM 4557/4885SI 724/4885

“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.