SCHEMBL4853499

SCHEMBL4853499

CC(=O)c1ccc2nccc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DDR2 Q16832 1/20 0.36
IDO1 P14902 2/20 0.36
LMNA P02545 1/20 0.36
MET P08581 3/20 0.36
AXL P30530 2/20 0.36
MERTK Q12866 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRC P12931 2/20 0.36
TGFBR1 P36897 2/20 0.36
HSD11B1 P28845 1/20 0.36
FGFR2 P21802 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
SCHEMBL9909152 0.88 HTT (0.46) KDM4EALDH1A1MAPK1DDR2LMNA
SCHEMBL12367211 0.82 HTR1A (0.41) KDM4EALDH1A1SLC22A12SMN1; SMN2SRC
SCHEMBL591544 0.80 IDO1 (0.45) IDO1AXLSLC22A12
SCHEMBL26317945 0.80 SLC2A1 (0.51) SLC2A1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2594936 0.80 GAK (0.47) SLC22A12SMN1; SMN2
SCHEMBL632944 0.80 LMNA (0.52) KDM4EMEN1KMT2AMAPK1NPSR1
SCHEMBL26632797 0.79 NR4A2 (0.45) ALDH1A1MAPK1LMNAAXLSLC22A12
SCHEMBL22492353 0.79 GAK (0.44) IDO1AXLSLC22A12ESR2
SCHEMBL3851998 0.79 SLC22A12 (0.56) SLC22A12ESR2
SCHEMBL14999154 0.78 SRC (0.39) AXLSLC22A12SMN1; SMN2SRCTGFBR1

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-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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 (2 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB SLC2A1 2086/4885KDM4E 4016/4885MEN1 4117/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB SLC2A1 1941/4885KDM4E 3929/4885MEN1 4261/4885

“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.