SCHEMBL561885

SCHEMBL561885

O=C(CS)OC(=O)CCCS

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FOLH1 Q04609 2/20 0.39

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
SCHEMBL8376898 0.92 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10FOLH1
SCHEMBL10948022 0.87 FOLH1 (0.52) TSHRALDH1A1HSD17B10FOLH1
SCHEMBL7710531 0.84 FOLH1 (0.55) TSHRALDH1A1HSD17B10FOLH1
SCHEMBL3226093 0.84 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10FOLH1
SCHEMBL10630073 0.84 TSHR (0.48) TSHRALDH1A1HSD17B10
SCHEMBL8926860 0.83 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10FOLH1
SCHEMBL8376900 0.81 ALDH1A1 (0.68) TSHRALDH1A1FOLH1
SCHEMBL7946541 0.81 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10
SCHEMBL407915 0.81
SCHEMBL27791611 0.78 TSHR (0.53) TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3047274-A2 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS Ohmx Corporation (US) 2016-07-27 EP disclosed
WO-2015042493-A2 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS OHMX CORPORATION (US) 2015-03-26 WO disclosed
US-20140322740-A1 PSA PEPTIDASE ACTIVITY (PPA) AS A PROSTATE CANCER BIOMARKER NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION (US) 2014-10-30 US disclosed
US-20140134658-A1 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS NOTRHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION (US) 2014-05-15 US disclosed
EP-2571997-A2 ENZYMATIC ACTIVITY OF PSA AS DIAGNOSTIC MARKER FOR PROSTATE CANCER Ohmx Corporation (US) 2013-03-27 EP disclosed
US-20120034638-A1 Electrochemical assay for the detection of enzymatically active PSA NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION 2012-02-09 US disclosed
WO-2011146143-A2 DETECTION OF CANCER BY ASSAYING PSA ENZYMATIC ACTIVITY OHMX CORPORATION (US) 2011-11-24 WO disclosed