SCHEMBL10175975

SCHEMBL10175975

COC(=O)c1c(C)c(=O)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.69
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ALOX5 P09917 6/20 0.53
DAO P14920 1/20 0.53
DDO Q99489 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PARP1 P09874 1/20 0.50
KIF11 P52732 1/20 0.50
IDO1 P14902 1/20 0.50
PTPN1 P18031 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL14767763 0.88 KDM4E (0.71) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4895906 0.82 KDM4E (0.72) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31570758 0.82 NR4A2 (1.00) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6216675 0.82 NR4A2 (1.00) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30681958 0.81 KDM4E (0.71) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1622313 0.81 KDM4E (0.71) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26351505 0.81 EGFR (0.61) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5280341 0.81 KDM4E (0.56) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26349973 0.81 KDM4E (0.71) NR4A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1622440 0.80 KDM4E (1.00) NR4A2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3655398-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS Phenex-FXR GmbH (DE) 2020-05-27 EP disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 CN disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120264760-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-10-18 US disclosed
US-20120264760-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-10-18 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 US disclosed
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections BRANDEIS UNIVERSITY (US) 2010-01-28 US disclosed
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections BRANDEIS UNIVERSITY (US) 2010-01-28 US disclosed
WO-2007143557-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL PARASITIC INFECTIONS BRANDEIS UNIVERSITY (US) 2007-12-13 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 (5 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 NR4A2 4041/4885KDM4E 1620/4885ALDH1A1 45/4885
US-20120264760-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections IMPDH1, IMPDH2, ITPA NR4A2 4470/4885KDM4E 1672/4885ALDH1A1 137/4885
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections IMPDH1, IMPDH2, ITPA NR4A2 4470/4885KDM4E 1672/4885ALDH1A1 137/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 NR4A2 4041/4885KDM4E 1620/4885ALDH1A1 45/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 NR4A2 44/4885KDM4E 2569/4885ALDH1A1 2016/4885

“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.