SCHEMBL4664433

SCHEMBL4664433

CCOC(=O)C(Cc1ccccc1)(NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.72
RECQL P46063 1/20 0.72
PTPRB P23467 3/20 0.63
MMP8 P22894 1/20 0.57
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
ACP1 P24666 1/20 0.55
AKT1 P31749 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SYK P43405 1/20 0.45
IDO1 P14902 1/20 0.44
ATM Q13315 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 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
SCHEMBL28914988 0.95 ALDH1A1 (0.65) ALDH1A1RECQLPTPRBMMP8PTPN2
SCHEMBL16019074 0.93 ALDH1A1 (0.67) ALDH1A1RECQLPTPRBMMP8PTPN2
SCHEMBL28168067 0.85 ALDH1A1 (0.51) ALDH1A1RECQLPTPRBAKT1CA12
SCHEMBL1859341 0.85 PTPRB (0.53) ALDH1A1RECQLPTPRBMMP8PTPN2
SCHEMBL8392933 0.84 ALDH1A1 (0.51) ALDH1A1RECQLPTPRBMMP8PTPN2
SCHEMBL27395266 0.84 ALDH1A1 (1.00) ALDH1A1RECQLPTPRBMMP8PTPN2
SCHEMBL560838 0.83 ALDH1A1 (0.51) ALDH1A1RECQLPTPRBMMP8PTPN2
SCHEMBL2347910 0.82 PTPRB (0.55) ALDH1A1RECQLPTPRBMMP8PTPN2
SCHEMBL560683 0.81 ALDH1A1 (0.49) ALDH1A1RECQLPTPRBMMP8PTPN2
SCHEMBL560684 0.81 ALDH1A1 (0.49) ALDH1A1RECQLPTPRBMMP8PTPN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106946724-B The synthetic method of monoamine base inhibitor class intermediate 2- acetylaminohydroxyphenylarsonic acid 2- benzyl malonic acid mono ethyl ester 苏州汉德创宏生化科技有限公司 2019-03-22 CN claimed
EP-2765859-B1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-18 EP disclosed
US-9505730-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-29 US disclosed
EP-2765860-B1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP disclosed
US-9193717-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-11-24 US disclosed
US-9085568-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-07-21 US disclosed
US-20150166490-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-06-18 US disclosed
US-20140275133-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2014-09-18 US disclosed
US-20140256723-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2014-09-11 US disclosed
WO-2013055607-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-04-18 WO disclosed
WO-2013055608-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-04-18 WO disclosed
WO-2013055606-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-04-18 WO disclosed
US-20080064736-A1 Substituted 2-Pyrrolidone Derivatives as Fungicides and Insecticides BAYER CROPSCIENCE AG (DE) 2008-03-13 US disclosed
US-20080064736-A1 Substituted 2-Pyrrolidone Derivatives as Fungicides and Insecticides BAYER CROPSCIENCE AG (DE) 2008-03-13 US disclosed
US-20080064736-A1 Substituted 2-Pyrrolidone Derivatives as Fungicides and Insecticides BAYER CROPSCIENCE AG (DE) 2008-03-13 US disclosed
CN-101133022-A Substituted 2-pyrrolidone derivatives as fungicides and insecticides BAYER CROPSCIENCE AG (DE) 2008-02-27 CN disclosed
EP-1771411-A1 SUBSTITUTED 2-PYRROLIDONE DERIVATIVES AS FUNGICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2007-04-11 EP disclosed
WO-2006005551-A1 SUBSTITUTED 2-PYRROLIDONE DERIVATIVES AS FUNGICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2006-01-19 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 (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-20140256723-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, REN ALDH1A1 769/4885RECQL 3695/4885PTPRB 1452/4885
US-20150166490-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, REN ALDH1A1 784/4885RECQL 3597/4885PTPRB 1491/4885
US-20080064736-A1 Substituted 2-Pyrrolidone Derivatives as Fungicides and Insecticides DDT, PPM1F, PPM1D ALDH1A1 1151/4885RECQL 4355/4885PTPRB 177/4885
US-20140275133-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, CYP11B2 ALDH1A1 736/4885RECQL 3589/4885PTPRB 1793/4885

“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.