SCHEMBL4664170

SCHEMBL4664170

CC(=O)NCc1cccc(C(F)(F)F)n1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.70
ADORA2A P29274 2/20 0.51
P2RX7 Q99572 1/20 0.49
GLS O94925 1/20 0.48
SYK P43405 2/20 0.47
HSD17B13 Q7Z5P4 2/20 0.47
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
ADRB1 P08588 1/20 0.40
DDR1 Q08345 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL13154963 0.86 NPSR1 (0.72) NPSR1ADORA2AGLSALOX15
SCHEMBL26790250 0.85 ADORA2A (0.49) NPSR1ADORA2AP2RX7GLSHSD17B13
SCHEMBL17109745 0.85 HTR1A (0.50) NPSR1ADORA2AP2RX7GLSHSD17B13
SCHEMBL22241983 0.84 NPSR1 (0.70) NPSR1ADORA2A
SCHEMBL15926179 0.83 NPSR1 (1.00) NPSR1ALOX15
SCHEMBL8247000 0.81 ADORA2A (0.49) NPSR1ADORA2AP2RX7GLSHSD17B13
SCHEMBL25378545 0.80 GLS (0.61) NPSR1ADORA2AP2RX7GLSHSD17B13
SCHEMBL15745622 0.79 NPSR1 (0.77) NPSR1ADORA2AALOX15
SCHEMBL26046016 0.79 P2RX7 (0.49) NPSR1ADORA2AP2RX7GLSHSD17B13
SCHEMBL17092307 0.78 HSD17B13 (0.50) NPSR1ADORA2AP2RX7GLSHSD17B13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP claimed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO claimed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 US disclosed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 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 (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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC NPSR1 85/4885ADORA2A 512/4885P2RX7 645/4885
US-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 NPSR1 1046/4885ADORA2A 2499/4885P2RX7 272/4885

“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.