SCHEMBL1660941

SCHEMBL1660941

O=C(OCc1ccccc1)C1CC(=O)N(O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
ELANE P08246 4/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
ATM Q13315 1/20 0.44
F2 P00734 1/20 0.44
FKBP1A P62942 1/20 0.43

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
SCHEMBL9186562 0.86 ALDH1A1 (0.44) HPGDELANEALDH1A1L3MBTL1MAPK1
SCHEMBL11421470 0.85 HPGD (0.46) HPGDELANEL3MBTL1TDP1CHRM2
SCHEMBL2083582 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1
SCHEMBL11285648 0.79 CHRM2 (0.48) HPGDELANEALDH1A1L3MBTL1MAPK1
SCHEMBL11285653 0.79 CHRM2 (0.48) HPGDELANEALDH1A1L3MBTL1MAPK1
SCHEMBL10760231 0.79 HPGD (0.46) HPGDELANEL3MBTL1TDP1CHRM2
SCHEMBL9684920 0.78 CTSK (0.49) ELANEATM
SCHEMBL5257373 0.77 CTSB (0.54)
SCHEMBL9190905 0.76 PSEN1 (0.42) HPGDELANEALDH1A1
SCHEMBL789074 0.75 FABP5 (0.48) FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10697019-B2 Method of diagnosis and prognosis IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-06-30 US disclosed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 US disclosed
EP-3180350-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY Imperial Innovations Ltd (GB) 2017-06-21 EP disclosed
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP disclosed
EP-2702167-B1 METHODS OF DIAGNOSIS AND PROGNOSIS OF MULTIPLE MYELOMA, BY MEASURING GADD45BETA EXPRESSION IMP INNOVATIONS LTD (GB) 2016-12-28 EP disclosed
US-9518083-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-13 US disclosed
WO-2016024131-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL INNOVATIONS LIMITED (GB) 2016-02-18 WO disclosed
US-20150368294-A1 GADD45BETA TARGETING AGENTS IP2IPO INNOVATIONS LIMITED (GB) 2015-12-24 US disclosed
US-8993717-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2015-03-31 US disclosed
US-20140128330-A1 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2014-05-08 US disclosed
EP-0785944-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
WO-1996011940-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1996-04-25 WO disclosed
US-5508432-A TREATING GASTROINTESTINAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. (US) 1996-04-16 US disclosed
EP-0465581-B1 ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 1995-10-04 EP disclosed
US-5380872-A Appetite suppresant, gall bladder disorders, CNS disorders GLAXO INC. (US) 1995-01-10 US disclosed
US-5288709-A Erythromycin derivatives ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 US disclosed
EP-0465581-A4 ERYTHROMYCIN DERIVATIVES 1992-05-13 EP disclosed
EP-0465581-A1 ERYTHROMYCIN DERIVATIVES. ABBOTT LAB (US) 1992-01-15 EP disclosed
WO-1990011288-A1 ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1990-10-04 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 (2 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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 HPGD 1493/4885ELANE 3004/4885ALDH1A1 2876/4885
US-20150368294-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 HPGD 1012/4885ELANE 2072/4885ALDH1A1 3663/4885

“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.