SCHEMBL254939

SCHEMBL254939

CCOC1CCCC(C(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 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
SCHEMBL22100267 0.90 HCRTR2 (0.31)
SCHEMBL18950233 0.85
SCHEMBL14451196 0.85
SCHEMBL26251806 0.81 CCNT1 (0.30)
Ammonia Solution, Strong SCHEMBL6014599 0.80
SCHEMBL10052294 0.79
SCHEMBL6014595 0.79 DPP4 (0.33) DPP4DPP7
SCHEMBL15809642 0.78 DPP4 (0.31) DPP4DPP7
SCHEMBL21238550 0.77 DPP4 (0.47) DPP4DPP7
SCHEMBL21961178 0.77 DPP4 (0.47) DPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024066-A1 Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2016-01-28 US disclosed
US-9193705-B2 Small molecule inhibitors of ebola and lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-24 US disclosed
US-20130231332-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-05 US disclosed
WO-2012031090-A2 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20160024066-A1 Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use LASP1, LAS1L, HSP90B1 SHBG 4546/4885DPP4 1579/4885DPP7 1770/4885
US-20130231332-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE LASP1, LAS1L, HSP90B1 SHBG 4546/4885DPP4 1579/4885DPP7 1770/4885

“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.