SCHEMBL73972

SCHEMBL73972

[CH2]OC(=O)OC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 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
SCHEMBL1023586 0.86 KAT2B (0.43) KAT2BBAZ2BL3MBTL1BACE1
Hydrochloric Acid SCHEMBL3966985 0.84 KAT2B (0.42) KAT2BBAZ2BL3MBTL1BACE1
SCHEMBL697518 0.84
SCHEMBL698654 0.79
SCHEMBL305952 0.79 EPHX1 (0.43)
SCHEMBL73973 0.78 KAT2B (0.42) KAT2BBAZ2BL3MBTL1
SCHEMBL1497921 0.78 L3MBTL1 (0.35) KAT2BBAZ2BL3MBTL1
SCHEMBL10598876 0.77 EPHX1 (0.47)
SCHEMBL8582703 0.77 EPHX1 (0.47)
SCHEMBL72976 0.77 EPHX1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US claimed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US claimed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP claimed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 US disclosed
EP-2170849-B1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LTD (GB) 2016-12-21 EP disclosed
US-9464071-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-10-11 US disclosed
US-9458158-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2016-10-04 US disclosed
US-9447098-B2 Pteridines as FGFR inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-09-20 US disclosed
US-9439896-B2 Quinolines as FGFR kinase modulators ASTEX THERAPEUTICS LTD (GB) 2016-09-13 US disclosed
US-20060178361-A1 ATM inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-10 US disclosed
US-20060172019-A1 Cannabinoid receptor inverse agonists and neutral antagonists as therapeutic agents for the treatment of bone disorders ABERDEEN, THE UNIVERSITY COURT OF THE UNIVERSITY OF (GB) 2006-08-03 US disclosed
US-20060149059-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-07-06 US disclosed
US-7049313-B2 ATM inhibitors KUDOS PHARMACEUTICALS LTD. (GB) 2006-05-23 US disclosed
US-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-05-11 US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 US disclosed
US-20040002492-A1 Induce immunology response; anticancer agents KUDOS PHARMACEUTICALS LTD (GB) 2004-01-01 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 (8 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-20040002492-A1 Induce immunology response; anticancer agents MYD88, IFNG, HCCS KAT2B 2397/4885BAZ2B 405/4885L3MBTL1 2434/4885
US-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 KAT2B 1160/4885BAZ2B 782/4885L3MBTL1 1346/4885
US-20060172019-A1 Cannabinoid receptor inverse agonists and neutral antagonists as therapeutic agents for the treatment of bone disorders CNR2, CNR1, GPER1 KAT2B 2617/4885BAZ2B 557/4885L3MBTL1 3234/4885
US-20060178361-A1 ATM inhibitors ATM, CHEK2, ATR KAT2B 499/4885BAZ2B 1939/4885L3MBTL1 2018/4885
US-20060149059-A1 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 KAT2B 169/4885BAZ2B 582/4885L3MBTL1 4143/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KAT2B 2884/4885BAZ2B 101/4885L3MBTL1 1129/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 KAT2B 1443/4885BAZ2B 1360/4885L3MBTL1 2743/4885
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P KAT2B 1881/4885BAZ2B 1619/4885L3MBTL1 1731/4885

“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.