SCHEMBL1692276

SCHEMBL1692276

COC(=O)CP(=O)(OC)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TET2 Q6N021 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL991 0.83 TSHR (0.46) POLBTSHRHSD17B10MGAMGAA
SCHEMBL9424637 0.81 POLB (0.44) POLBTSHRHSD17B10MGAMGAA
SCHEMBL29229754 0.75 POLB (0.40) POLBTSHRHSD17B10MGAMGAA
SCHEMBL421908 0.75 DGAT1 (0.35) CA12CA2CA14L3MBTL1
SCHEMBL2236600 0.73 TSHR (0.44) POLBTSHRHSD17B10MGAMGAA
SCHEMBL12330742 0.72 POLB (0.35) POLBTSHRHSD17B10MGAMGAA
SCHEMBL2242177 0.71 POLB (0.37) POLBTSHRHSD17B10MGAMGAA
SCHEMBL31624489 0.71 TSHR (0.47) POLBTSHRRECQLL3MBTL1
SCHEMBL31624405 0.71 TSHR (0.47) POLBTSHRRECQLL3MBTL1
SCHEMBL31624380 0.71 TSHR (0.47) POLBTSHRRECQLL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43038-E1 Compound having antitumor activity and process for producing the same RIKEN (JP) 2011-12-20 US disclosed
US-7612213-B2 (E)-ethyl 7-hydroxy-2-methyl-2-heptenate; (3E, 5E)-tert-butyl-9-(tert-butyldimethylsiloxy)-2-[(E)-ethylid ene]-4-methylnona-3,5-dienate RIKEN (JP) 2009-11-03 US disclosed
US-20050209463-A1 Novel compound having antitumor activity and process for producing the same RIKEN (JP) 2005-09-22 US disclosed
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha DUAN JINGWU (US) 2004-04-15 US disclosed
EP-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 EP disclosed
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 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-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha TNF, XPNPEP1, MMP2 POLB 2678/4885TSHR 2602/4885HSD17B10 3073/4885
US-20050209463-A1 Novel compound having antitumor activity and process for producing the same MCL1, MYC, HCCS POLB 1250/4885TSHR 4175/4885HSD17B10 1245/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 POLB 2502/4885TSHR 2572/4885HSD17B10 3253/4885

“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.