SCHEMBL437868

SCHEMBL437868

CC(C)=NN(C)C(=O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
CA1 P00915 1/20 0.30

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
SCHEMBL436255 0.77
SCHEMBL20849730 0.74
SCHEMBL3500103 0.71
SCHEMBL19503747 0.69
SCHEMBL24760 0.67
SCHEMBL6523333 0.67 ALDH1A1 (0.50) TSHRALDH1A1NFKB1THPOHSD17B10
SCHEMBL14328624 0.67 TAS2R38 (0.47) ALDH1A1HSD17B10CA1
SCHEMBL5317417 0.65 TSHR (0.41) TSHRALDH1A1NFKB1THPOHSD17B10
Acetic Acid SCHEMBL27795666 0.65 FFAR3 (0.54) TSHRALDH1A1NFKB1THPOHSD17B10
SCHEMBL19789240 0.65

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-20180215687-A1 SYNTHESIS OF ARYL COMPOUNDS BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2018-08-02 US disclosed
US-9738591-B2 Antimicrobial compounds Boulos, Ramiz (AU) 2017-08-22 US disclosed
US-20170029359-A1 ANTIMICROBIAL COMPOUNDS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2017-02-02 US disclosed
US-20160220694-A1 Vitamin-Receptor Binding Drug Delivery Conjugates ENDOCYTE INC (US) 2016-08-04 US disclosed
US-20150189873-A1 ANTIMICROBIAL COMPOUNDS BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2015-07-09 US disclosed
US-9023892-B2 Antimicrobial compounds Boulos, Ramiz (AU) 2015-05-05 US disclosed
US-8765096-B2 Methods and compositions for treating and diagnosing kidney disease ENDOCYTE, INC (US) 2014-07-01 US disclosed
US-8765096-B2 Methods and compositions for treating and diagnosing kidney disease ENDOCYTE, INC (US) 2014-07-01 US disclosed
US-20140058063-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES ENDOCYTE, INC. (US) 2014-02-27 US disclosed
US-20140058063-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES ENDOCYTE, INC. (US) 2014-02-27 US disclosed
US-20120329871-A1 ANTIMICROBIAL COMPOUNDS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2012-12-27 US disclosed
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease LEAMON CHRISTOPHER PAUL (US) 2012-10-25 US disclosed
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease LEAMON CHRISTOPHER PAUL (US) 2012-10-25 US disclosed
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US disclosed
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 US disclosed
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES PURDUE RESEARCH FOUNDATION (US) 2012-01-26 US disclosed
US-20100104626-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE ENDOCYTE, INC. (US) 2010-04-29 US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 US disclosed
US-7601332-B2 Minimized toxicity; eliminating pathogenic cell populations; synthesis; claimed intermediates ENDOCYTE, INC. (US) 2009-10-13 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-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES FOLR1, FOLR2, DHFR TSHR 1536/4885ALDH1A1 1932/4885NFKB1 860/4885
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 TSHR 377/4885ALDH1A1 931/4885NFKB1 2666/4885
US-20100104626-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE VDR, GC, CYP24A1 TSHR 428/4885ALDH1A1 2229/4885NFKB1 1821/4885
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 TSHR 377/4885ALDH1A1 931/4885NFKB1 2666/4885
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease VDR, GC, CYP24A1 TSHR 428/4885ALDH1A1 2229/4885NFKB1 1821/4885
US-20180215687-A1 SYNTHESIS OF ARYL COMPOUNDS UTS2R, UGT1A1, NAT1 TSHR 530/4885ALDH1A1 145/4885NFKB1 1513/4885
US-20160220694-A1 Vitamin-Receptor Binding Drug Delivery Conjugates VDR, CYP2R1, CYP24A1 TSHR 371/4885ALDH1A1 672/4885NFKB1 2665/4885
US-20140058063-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 TSHR 377/4885ALDH1A1 931/4885NFKB1 2666/4885
US-20120329871-A1 ANTIMICROBIAL COMPOUNDS DPM1, NACA, CLPP TSHR 4333/4885ALDH1A1 2802/4885NFKB1 1015/4885
US-20170029359-A1 ANTIMICROBIAL COMPOUNDS MRPL21, SPOUT1, MPO TSHR 4275/4885ALDH1A1 2054/4885NFKB1 784/4885
US-20150189873-A1 ANTIMICROBIAL COMPOUNDS DPM1, NACA, CLPP TSHR 4333/4885ALDH1A1 2802/4885NFKB1 1015/4885

“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.