Ethane

Ethane

SCHEMBL1821048

CC.O=C(O)CCN=C=S

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.40
NFE2L2 Q16236 5/20 0.40
MIF P14174 4/20 0.38
NAAA Q02083 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
BACH1 O14867 1/20 0.38
MAFK O60675 1/20 0.38
EGFR P00533 1/20 0.38
PTGS2 P35354 1/20 0.38
TRPA1 O75762 6/20 0.37
GSK3B P49841 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL9531670 0.95
SCHEMBL3109402 0.79 MIF (0.52) KEAP1NFE2L2MIFNAAALMNA
Ethane SCHEMBL668882 0.78 LMNA (0.38) LMNAALDH1A1ALKBH5SUCNR1EGLN1
SCHEMBL1805417 0.77 MIF (0.56) KEAP1NFE2L2MIFNAAALMNA
Hydrochloric Acid SCHEMBL9698829 0.76 MIF (0.54) KEAP1NFE2L2MIFNAAALMNA
SCHEMBL1364810 0.73
Ethyl Isothiocyanate SCHEMBL1811949 0.72
SCHEMBL1201008 0.72
Water SCHEMBL28001085 0.70
Hydrochloric Acid SCHEMBL9459532 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330252-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2020-02-12 EP disclosed
US-10314802-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2019-06-11 US disclosed
EP-3075248-B1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS SIGNUM BIOSCIENCES INC (US) 2019-03-27 EP disclosed
US-10117904-B2 Use of anti-bacterial agents for the treatment of epithelial-related conditions SIGNUM BIOSCIENCES, INC. (US) 2018-11-06 US disclosed
EP-3330252-A2 ISOPRENYL COMPOUNDS AND METHODS THEREOF Signum Biosciences, Inc. (US) 2018-06-06 EP disclosed
EP-2963012-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2018-01-10 EP disclosed
US-20170368011-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES, INC. (US) 2017-12-28 US disclosed
US-9744147-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2017-08-29 US disclosed
US-20170049841-A1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS SIGNUM DERMALOGIX, INC. 2017-02-23 US disclosed
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof SIGNUM DERMALOGIX, INC. 2016-12-15 US disclosed
EP-2963012-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF Signum Biosciences, Inc. (US) 2016-01-06 EP disclosed
EP-2362866-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2015-07-08 EP disclosed
US-20130310559-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES, INC. (US) 2013-11-21 US disclosed
US-8372884-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. 2013-02-12 US disclosed
EP-2498603-A1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS Signum Biosciences, Inc. (US) 2012-09-19 EP disclosed
EP-2362866-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF Signum Biosciences, Inc. (US) 2011-09-07 EP disclosed
WO-2011060330-A1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS SIGNUM BIOSCIENCES, INC. (US) 2011-05-19 WO disclosed
US-20110118265-A1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS SIGNUM DERMALOGIX, INC. 2011-05-19 US disclosed
US-20100184768-A1 Isoprenyl Compounds and Methods Thereof SIGNUM BIOSCIENCES, INC. (US) 2010-07-22 US disclosed
WO-2010056778-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES, INC. (US) 2010-05-20 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 (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-20170049841-A1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS EPCAM, ELANE, CFTR KEAP1 95/4885NFE2L2 346/4885MIF 513/4885
US-20110118265-A1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS EPCAM, ELANE, CFTR KEAP1 95/4885NFE2L2 346/4885MIF 513/4885
US-10117904-B2 Use of anti-bacterial agents for the treatment of epithelial-related conditions EPCAM, ELANE, CFTR KEAP1 95/4885NFE2L2 346/4885MIF 513/4885
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof ALOX15B, ALOX15, ALOX5 KEAP1 28/4885NFE2L2 172/4885MIF 174/4885
US-20100184768-A1 Isoprenyl Compounds and Methods Thereof ALOX15B, ALOX15, ALOX5 KEAP1 28/4885NFE2L2 172/4885MIF 174/4885
US-10314802-B2 Isoprenyl compounds and methods thereof ALOX15B, ALOX15, ALOX5 KEAP1 28/4885NFE2L2 172/4885MIF 174/4885
US-20130310559-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF ALOX15B, ALOX15, ALOX5 KEAP1 28/4885NFE2L2 172/4885MIF 174/4885
US-20170368011-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF ALOX15B, ALOX15, ALOX5 KEAP1 28/4885NFE2L2 172/4885MIF 174/4885

“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.