SCHEMBL3363445

SCHEMBL3363445

COP(=O)(NN1CCOCC1)OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL1246277 0.71 MMP1 (0.50) MMP1MMP3MMP8CYP2D6SMN1; SMN2
SCHEMBL9346545 0.71 MMP1 (0.40) ALDH1A1MMP1MMP3MMP8CYP2D6
SCHEMBL273144 0.68 MMP1 (0.47) MMP1MMP3MMP8CYP2D6SMN1; SMN2
SCHEMBL13022048 0.67 GAA (0.39) ALDH1A1TDP1MMP1MMP3MMP8
SCHEMBL3363449 0.65 MEN1 (0.35) ALDH1A1TDP1MMP1MMP3MMP8
SCHEMBL9819673 0.65 TSHR (0.34) ALDH1A1MMP1MMP3MMP8HSD17B10
SCHEMBL8378379 0.65 CA12 (0.34) ALDH1A1GLARECQLCYP2D6SMN1; SMN2
Trimethyl Phosphate SCHEMBL28219128 0.65 CA12 (0.36) ALDH1A1TDP1MMP1MMP3MMP8
SCHEMBL14417614 0.65 GAA (0.38) ALDH1A1TDP1MMP1MMP3MMP8
Phosphoric Acid Monomethyl Ester SCHEMBL28387878 0.64 MMP1 (0.42) ALDH1A1TDP1MMP1MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317092-A1 AGENTS, COMPOSITIONS AND METHODS FOR TREATING PATHOLOGIES IN WHICH REGULATING AN ACHE-ASSOCIATED BIOLOGICAL PATHWAY IS BENEFICIAL YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-11-28 US disclosed
US-20120295963-A1 AGENTS, COMPOSITIONS AND METHODS FOR TREATING PATHOLOGIES IN WHICH REGULATING AN ACHE-ASSOCIATED BIOLOGICAL PATHWAY IS BENEFICIAL YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2012-11-22 US disclosed
US-20100216868-A1 AGENTS, COMPOSITIONS AND METHODS FOR TREATING PATHOLOGIES IN WHICH REGULATING AN ACHE-ASSOCIATED BIOLOGICAL PATHWAY IS BENEFICIAL YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2010-08-26 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
EP-2134842-A2 AGENTS, COMPOSITIONS AND METHODS FOR TREATING PATHOLOGIES IN WHICH REGULATING AN ACHE-ASSOCIATED BIOLOGICAL PATHWAY IS BENEFICIAL Yissum Research Development Company of the Hebrew University of Jerusalem Ltd (IL) 2009-12-23 EP disclosed
US-20080306014-A1 Agents, compositions and methods for treating pathologies in which regulating an ache-associated biological pathway is beneficial YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-12-11 US disclosed
WO-2008107901-A2 AGENTS, COMPOSITIONS AND METHODS FOR TREATING PATHOLOGIES IN WHICH REGULATING AN ACHE-ASSOCIATED BIOLOGICAL PATHWAY IS BENEFICIAL YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-09-12 WO disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-20070293452-A1 Agents, compositions and methods for treating pathologies in which regulating an ache-associated biological pathway is beneficial YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-12-20 US disclosed
EP-1791954-A1 AGENTS, COMPOSITIONS AND METHODS FOR TREATING PATHOLOGIES IN WHICH REGULATING AN ACHE-ASSOCIATED BIOLOGICAL PATHWAY IS BENEFICIAL YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-06-06 EP disclosed
WO-2006027776-A1 AGENTS, COMPOSITIONS AND METHODS FOR TREATING PATHOLOGIES IN WHICH REGULATING AN ACHE-ASSOCIATED BIOLOGICAL PATHWAY IS BENEFICIAL YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-03-16 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 (3 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A ALDH1A1 2240/4885TDP1 1548/4885MMP1 4346/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 ALDH1A1 785/4885TDP1 2846/4885MMP1 2896/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 ALDH1A1 1588/4885TDP1 2561/4885MMP1 2344/4885

“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.