SCHEMBL1777602

SCHEMBL1777602

CCC(O)(CC)c1ccc2ccc(OS(=O)(=O)C(F)(F)F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
HTR1D P28221 5/20 0.40
HTR1A P08908 4/20 0.40
HTR1B P28222 4/20 0.40
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPN1 P18031 2/20 0.36
CA9 Q16790 1/20 0.36
CXCR2 P25025 2/20 0.35
ESR1 P03372 1/20 0.35
ATM Q13315 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL12601252 0.85 HSD11B1 (0.45) HSD11B1HTR1DHTR1AHTR1BTDP1
SCHEMBL598333 0.81 CA1 (0.50) HSD11B1HTR1DHTR1AHTR1BDRD2
SCHEMBL15946067 0.78 CA1 (0.46) HSD11B1HTR1DHTR1AHTR1BDRD2
SCHEMBL13933202 0.77 CA1 (0.49) HSD11B1HTR1DHTR1AHTR1BDRD2
SCHEMBL4056753 0.77 CA1 (0.51) HSD11B1HTR1DHTR1AHTR1BDRD2
SCHEMBL1525558 0.77 CA5A (0.41) DRD2DRD3MAPK1L3MBTL1CA1
SCHEMBL1179389 0.76 L3MBTL1 (0.51) HSD11B1TDP1L3MBTL1CA1CA2
SCHEMBL18159331 0.76 HSD11B1 (0.47) HSD11B1HTR1DHTR1AHTR1BGAA
SCHEMBL15370576 0.75 MEN1 (0.49) HSD11B1HTR1DHTR1AHTR1BTDP1
SCHEMBL1897441 0.75 KMT2A (0.56) HSD11B1HTR1DHTR1AHTR1BCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2007-09-26 EP disclosed
WO-2006069153-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 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 (1 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-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 HSD11B1 84/4885HTR1D 391/4885HTR1A 875/4885

“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.