SCHEMBL10127432

SCHEMBL10127432

COC1CC(=O)N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX12 P18054 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
SCHEMBL12784532 1.00 TSHR (0.41) TSHRKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL19413487 0.77 ALDH1A1 (0.38) TSHRKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL15157176 0.76 AADAT (0.33) ALDH1A1BRD4
SCHEMBL12541574 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18009306 0.72 GAA (0.36) TSHRKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL9657126 0.72 TSHR (0.35) TSHRKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL24795957 0.72 CYP19A1 (0.36) TSHRKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL21389300 0.72 CYP19A1 (0.36) TSHRKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL19155309 0.72 MAPT (0.45) KMT2AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL18009296 0.72 NFE2L2 (0.41) TSHRKMT2AALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309168-A1 MODIFIED PEPTIDES AND PROTEINS AMIDEBIO, LLC (US) 2014-10-16 US disclosed
US-8765096-B2 Methods and compositions for treating and diagnosing kidney disease ENDOCYTE, INC (US) 2014-07-01 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-8058292-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-11-15 US disclosed
US-8058292-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-11-15 US disclosed
US-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-10-07 US disclosed
US-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-10-07 US disclosed
US-7772405-B2 3-alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one derivatives as intermediates in the synthesis of renin inhibitors NOVARTIS AG (CH) 2010-08-10 US disclosed
US-7767699-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2010-08-03 US disclosed
US-7767699-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2010-08-03 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
US-20080262246-A1 3-Alkyl-5- (4-Alkyl-5-Oxo-Tetrahydrofutr An -2-Yl) Pyrrolidin-2-One Derivatives As Intermediates In The Synthesis Of Renin Inhibitors NODEN PHARMA DESIGNATED ACTIVITY COMPANY (IE) 2008-10-23 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 (8 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 1536/4885KMT2A 1861/4885ALDH1A1 1932/4885
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 TSHR 377/4885KMT2A 2852/4885ALDH1A1 931/4885
US-20100104626-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE VDR, GC, CYP24A1 TSHR 428/4885KMT2A 4582/4885ALDH1A1 2229/4885
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 TSHR 377/4885KMT2A 2852/4885ALDH1A1 931/4885
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease VDR, GC, CYP24A1 TSHR 428/4885KMT2A 4582/4885ALDH1A1 2229/4885
US-20080262246-A1 3-Alkyl-5- (4-Alkyl-5-Oxo-Tetrahydrofutr An -2-Yl) Pyrrolidin-2-One Derivatives As Intermediates In The Synthesis Of Renin Inhibitors REN, AGTR2, AGTR1 TSHR 1518/4885KMT2A 2170/4885ALDH1A1 1161/4885
US-20140309168-A1 MODIFIED PEPTIDES AND PROTEINS IAPP, VIP, ENPEP TSHR 3148/4885KMT2A 4144/4885ALDH1A1 4652/4885
US-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRNA10, ACHE, SNCA TSHR 1880/4885KMT2A 771/4885ALDH1A1 453/4885

“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.