SCHEMBL8224852

SCHEMBL8224852

CC(C)(C)Cc1ccc(C(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.57
PRSS3 P35030 6/20 0.57
PRSS2 P07478 5/20 0.57
F10 P00742 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.57
ESR1 P03372 1/20 0.54
MASP2 O00187 1/20 0.52
PLAU P00749 1/20 0.52
THPO P40225 1/20 0.52
F2 P00734 4/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
TMPRSS6 Q8IU80 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
PLG P00747 1/20 0.47
C1S P09871 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL18720209 0.83 PRSS1 (0.52) PRSS1PRSS3PRSS2F2TMPRSS6
SCHEMBL20008697 0.83 PRSS1 (0.52) PRSS1PRSS3PRSS2F2TMPRSS6
SCHEMBL9889057 0.81 ESR1 (0.56) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL12939772 0.80 PRSS1 (0.53) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL9177235 0.79 THRA (0.59) ESR1THRATHRB
SCHEMBL6685103 0.76 ESR1 (0.74) ESR1THRATHRBLMNA
SCHEMBL14454663 0.76 ESR1 (0.50) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL1696572 0.76 PRSS1 (0.64) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL2717268 0.75 PRSS1 (0.70) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL8417752 0.75 ESR1 (0.48) ESR1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9731016-B2 Tyrosine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2017-08-15 US disclosed
US-9731016-B2 Tyrosine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2017-08-15 US disclosed
US-20160206739-A1 TYROSINE-BASED LIPIDS FOR DELIVERY OF THERAPEUTICS MARINA BIOTECH INC (US) 2016-07-21 US disclosed
US-9339461-B2 Arginine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2016-05-17 US disclosed
US-20150209283-A1 PROCESSES AND COMPOSITIONS FOR LIPOSOMAL AND EFFICIENT DELIVERY OF GENE SILENCING THERAPEUTICS MARINA BIOTECH INC (US) 2015-07-30 US disclosed
US-8877729-B2 Amino acid lipids and uses thereof MARINA BIOTECH, INC. (US) 2014-11-04 US disclosed
US-20140308304-A1 LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. 2014-10-16 US disclosed
US-20140037714-A1 AMINO ACID LIPIDS AND USES THEREOF MARINA BIOTECH, INC. (US) 2014-02-06 US disclosed
US-8501824-B2 Amino acid lipids and uses thereof MARINA BIOTECH, INC. (US) 2013-08-06 US disclosed
US-20130039970-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics MARINA BIOTECH, INC. (US) 2013-02-14 US disclosed
US-20130039970-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics MARINA BIOTECH, INC. (US) 2013-02-14 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
US-20110177160-A1 Amino acid lipids and uses thereof MARINA BIOTECH, INC. (US) 2011-07-21 US disclosed
US-20110130327-A1 Multi-Arm Amines and Uses Thereof MARINA BIOTECH, INC. (US) 2011-06-02 US disclosed
US-7939505-B2 Amino acid lipids and uses thereof MARINA BIOTECH, INC. (US) 2011-05-10 US disclosed
US-20100112042-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics MDRNA, INC. (US) 2010-05-06 US disclosed
US-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 US disclosed
US-20080317839-A1 AMINO ACID LIPIDS AND USES THEREOF NASTECH PHARMACEUTICAL COMPANY INC. (US) 2008-12-25 US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 US 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 (11 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-20160206739-A1 TYROSINE-BASED LIPIDS FOR DELIVERY OF THERAPEUTICS ABL1, LCK, ERBB2 PRSS1 3030/4885PRSS3 3649/4885PRSS2 3435/4885
US-20080317839-A1 AMINO ACID LIPIDS AND USES THEREOF AADAT, AARS1, ABAT PRSS1 2415/4885PRSS3 2984/4885PRSS2 2631/4885
US-20110130327-A1 Multi-Arm Amines and Uses Thereof SNRPE, SNRPA, ADAR PRSS1 4466/4885PRSS3 4740/4885PRSS2 4785/4885
US-20150209283-A1 PROCESSES AND COMPOSITIONS FOR LIPOSOMAL AND EFFICIENT DELIVERY OF GENE SILENCING THERAPEUTICS SLC27A2, LYPLA2, SLC27A1 PRSS1 2423/4885PRSS3 3520/4885PRSS2 1210/4885
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 PRSS1 17/4885PRSS3 43/4885PRSS2 26/4885
US-20100112042-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics SLC27A2, LYPLA2, SLC47A2 PRSS1 2168/4885PRSS3 3021/4885PRSS2 982/4885
US-20140308304-A1 LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS NPC1L1, NPC1, CETP PRSS1 1703/4885PRSS3 2398/4885PRSS2 2421/4885
US-20130039970-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics SLC27A2, LYPLA2, SLC27A1 PRSS1 2423/4885PRSS3 3520/4885PRSS2 1210/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 PRSS1 3321/4885PRSS3 3486/4885PRSS2 3059/4885
US-20140037714-A1 AMINO ACID LIPIDS AND USES THEREOF AADAT, AARS1, ABAT PRSS1 2415/4885PRSS3 2984/4885PRSS2 2631/4885
US-20110177160-A1 Amino acid lipids and uses thereof AADAT, AARS1, ABAT PRSS1 2415/4885PRSS3 2984/4885PRSS2 2631/4885

“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.