SCHEMBL509169

SCHEMBL509169

CCN(C(=O)OC(C)(C)C)C1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD11B1 P28845 1/20 0.33
KDM1A O60341 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ATM Q13315 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GPR119 Q8TDV5 3/20 0.31

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
SCHEMBL510301 0.83 USP30 (0.32) HSD11B1KDM1AHDAC8HDAC6
SCHEMBL510068 0.83 ALDH1A1 (0.33) CCR5ALDH1A1HSD11B1KDM1AHDAC8
SCHEMBL3824368 0.81 CCR5 (0.42) CCR5NFKB1NFKB2RELAHSD11B1
SCHEMBL508534 0.80 HSD11B1 (0.40) NFKB1NFKB2RELAHSD11B1GPR119
SCHEMBL1871691 0.77 CCR5 (0.39) CCR5NFKB1NFKB2RELA
SCHEMBL4433311 0.75 CCR5 (0.40) CCR5NFKB1NFKB2RELAHSD11B1
SCHEMBL15236488 0.75 CCR5 (0.40) CCR5NFKB1NFKB2RELAHSD11B1
SCHEMBL10343966 0.75 CCR5 (0.40) CCR5NFKB1NFKB2RELAHSD11B1
SCHEMBL18928463 0.74 PIK3CD (0.44) CCR5NFKB1NFKB2RELAHSD11B1
SCHEMBL4437801 0.74 CCR5 (0.39) CCR5NFKB1NFKB2RELAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2022-07-14 US disclosed
US-20210113571-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2021-04-22 US disclosed
US-20200281933-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2020-09-10 US disclosed
US-20200030335-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2020-01-30 US disclosed
US-20190175603-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2019-06-13 US disclosed
US-20180303842-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2018-10-25 US disclosed
US-20170266194-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2017-09-21 US disclosed
EP-2380874-B1 Pleuromutilin derivatives for the treatment of diseases mediated by microbes NABRIVA THERAPEUTICS AG (AT) 2016-12-28 EP disclosed
US-20140256731-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2014-09-11 US disclosed
US-20130040954-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2013-02-14 US disclosed
US-8153689-B2 Pleuromutilin derivatives for the treatment of diseases mediated by microbes NABRIVA THERAPEUTICS AG (AT) 2012-04-10 US disclosed
US-20120029072-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG 2012-02-02 US disclosed
US-8071643-B2 Pleuromutilin derivatives for the treatment of diseases mediated by microbes NABRIVA THERAPEUTICS AG (AT) 2011-12-06 US disclosed
EP-2380874-A2 Pleuromutilin derivatives for the treatment of diseases mediated by microbes Nabriva Therapeutics AG (AT) 2011-10-26 EP disclosed
EP-2137143-B1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2011-09-07 EP disclosed
US-20100035987-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2010-02-11 US disclosed
EP-2137143-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES Nabriva Therapeutics AG (AT) 2009-12-30 EP disclosed
US-20090118366-A1 ORGANIC COMPOUNDS NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2009-05-07 US disclosed
WO-2008113089-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2008-09-25 WO disclosed
EP-1972618-A1 Pleuromutilin derivatives for the treatment of diseases mediated by microbes Nabriva Therapeutics AG (AT) 2008-09-24 EP 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 (12 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-20200281933-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 CCR5 2044/4885KDM4E 4814/4885ALDH1A1 870/4885
US-20140256731-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 CCR5 1740/4885KDM4E 4787/4885ALDH1A1 1061/4885
US-20090118366-A1 ORGANIC COMPOUNDS C5, C9, C1S CCR5 149/4885KDM4E 2572/4885ALDH1A1 553/4885
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 CCR5 2027/4885KDM4E 4793/4885ALDH1A1 852/4885
US-20130040954-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 CCR5 1740/4885KDM4E 4787/4885ALDH1A1 1061/4885
US-20190175603-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 CCR5 2044/4885KDM4E 4814/4885ALDH1A1 870/4885
US-20170266194-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HRH4, HRH2, CHRM1 CCR5 439/4885KDM4E 4123/4885ALDH1A1 1122/4885
US-20100035987-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, FABP6, ALPI CCR5 2442/4885KDM4E 4799/4885ALDH1A1 1565/4885
US-20200030335-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HRH4, HRH2, CHRM1 CCR5 439/4885KDM4E 4123/4885ALDH1A1 1122/4885
US-20210113571-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 CCR5 2027/4885KDM4E 4793/4885ALDH1A1 852/4885
US-20180303842-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 CCR5 2044/4885KDM4E 4814/4885ALDH1A1 870/4885
US-20120029072-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, FABP6, PLEC CCR5 2564/4885KDM4E 4755/4885ALDH1A1 654/4885

“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.