SCHEMBL4530679

SCHEMBL4530679

CC(Cc1csc(C(F)(F)F)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
MME P08473 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
RXRA P19793 1/20 0.33
NR4A2 P43354 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 3/20 0.33
MLYCD O95822 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL4530194 0.83 POLB (0.38) EPHX2PPARGLMNAMLYCDNPC1
SCHEMBL1912967 0.80 IDH1 (0.33) MCHR1
SCHEMBL9864531 0.75 HSD17B10 (0.56) GABRA5GABRB2HSD17B10NPC1ALDH1A1
SCHEMBL28168894 0.72 LMNA (0.66) LMNAALDH1A1GAAMAPT
SCHEMBL13643056 0.72 KDM4E (0.55) RXRANR4A2LMNAHSD17B10NPC1
SCHEMBL1999685 0.71 SRC (0.35) MCHR1
SCHEMBL9262966 0.71 MCHR1 (0.34) NPC1GAARAB9AMCHR1
SCHEMBL30818108 0.69 CBLB (0.34) NPC1RAB9AGRIN1GRIN2BTACR2
SCHEMBL20530847 0.68 MCHR1 (0.33) MAPTMCHR1
SCHEMBL5437866 0.68 IDH1 (0.36) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 FFAR1 137/4885EPHX2 2857/4885PPARG 533/4885

“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.