SCHEMBL1751365

SCHEMBL1751365

COC(=O)COP(=O)(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TET2 Q6N021 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
SCHEMBL9558843 0.84 TSHR (0.32) TSHRHTTHSD17B10MGAMGAA
SCHEMBL575208 0.77 SMN1; SMN2 (0.38) TSHRHTTSMN1; SMN2
SCHEMBL10012851 0.76 TSHR (0.56) TSHRHSD17B10MGAMGAASI
SCHEMBL10010047 0.76 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL171078 0.76 POLB (0.37) TSHRHTTHSD17B10MGAMGAA
SCHEMBL816653 0.74 TSHR (0.40) TSHRHTTHSD17B10MGAMGAA
SCHEMBL23722714 0.73 HTT (0.34) TSHRHTTSMN1; SMN2
SCHEMBL575246 0.73 SMN1; SMN2 (0.34) TSHRHTTSMN1; SMN2
SCHEMBL575244 0.73 SMN1; SMN2 (0.34) TSHRHTTSMN1; SMN2
SCHEMBL15951726 0.73 TSHR (0.41) TSHRHTTHSD17B10MGAMGAA

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-7968736-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof University of Pittsburgh—of the Commonwelth Systems of Higher Education (US) 2011-06-28 US disclosed
EP-1765073-A4 ANALOGS OF DICTYOSTATIN, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIV PITTSBURGH (US) 2009-07-15 EP disclosed
US-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF PITTSBURGH UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER 2009-02-05 US disclosed
US-20080188651-A1 Analogs of dictyostatin, intermediates therefor and methods of systhesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-07 US disclosed
US-7321046-B2 Analogs of dictyostatin, intermediates therefor and methods of synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2008-01-22 US disclosed
EP-1765073-A2 ANALOGS OF DICTYOSTATIN, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2007-03-28 EP disclosed
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof PITTSBURGH, UNIVERSITY OF 2006-11-30 US disclosed
US-7122686-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2006-10-17 US disclosed
US-20060025395-A1 Analogs of dictyostatin, intermediates therefor and methods of synthesis thereof PITTSBURGH, UNIVERSITY OF 2006-02-02 US disclosed
WO-2005117588-A2 ANALOGS OF DICTYOSTATIN, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2005-12-15 WO disclosed
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-23 US disclosed
WO-2004022552-A1 ANALOGS OF DISCODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2004-03-18 WO disclosed
WO-2003080567-A2 INTERMEDIATES FOR THE SYNTHESIS OF DISCODERMOLIDE AND RELATED ANALOGUES AND METHODS FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-10-02 WO disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 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 (5 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-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF RRS1, RPS3A, RPS3 TSHR 274/4885HTT 3504/4885HSD17B10 1640/4885
US-20080188651-A1 Analogs of dictyostatin, intermediates therefor and methods of systhesis thereof RPS14, RPL41, DHCR7 TSHR 332/4885HTT 2574/4885HSD17B10 1386/4885
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof RRS1, RPS6KA3, RPS6KA4 TSHR 386/4885HTT 4162/4885HSD17B10 1353/4885
US-20060025395-A1 Analogs of dictyostatin, intermediates therefor and methods of synthesis thereof DCXR, DHCR7, RRM2B TSHR 165/4885HTT 2580/4885HSD17B10 945/4885
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof DECR1, RRS1, WEE1 TSHR 290/4885HTT 3877/4885HSD17B10 1528/4885

“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.