SCHEMBL14733667

SCHEMBL14733667

CCOC(=O)CN([C@@H](/C=C/C#N)Cc1ccccc1)S(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.35
EPHX2 P34913 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSS P25774 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CTSL P07711 2/20 0.32
DAGLA Q9Y4D2 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
EGFR P00533 1/20 0.31
APP P05067 2/20 0.31
KDM2B Q8NHM5 1/20 0.31
EPAS1 Q99814 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 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
SCHEMBL14717195 0.89 DAGLA (0.37) PPARGSLC22A12PTGDR2CTSLDAGLA
SCHEMBL14717196 0.89 DAGLA (0.37) PPARGSLC22A12PTGDR2CTSLDAGLA
SCHEMBL14717193 0.89 DAGLA (0.37) PPARGSLC22A12PTGDR2CTSLDAGLA
SCHEMBL14732889 0.79 PPARG (0.36) PPARGEPHX2DAGLACYP3A4CYP2D6
SCHEMBL14732890 0.78 PPARG (0.35) PPARGEPHX2DAGLACYP3A4CYP2D6
SCHEMBL15722180 0.75 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CTSSCTSLEGFR
SCHEMBL14718102 0.70 SLC22A12 (0.43) SMN1; SMN2CTSSSLC22A12CTSLCYP3A4
SCHEMBL14718098 0.70 SLC22A12 (0.43) SMN1; SMN2CTSSSLC22A12CTSLCYP3A4
SCHEMBL14718100 0.70 SLC22A12 (0.43) SMN1; SMN2CTSSSLC22A12CTSLCYP3A4
SCHEMBL14718097 0.70 SLC22A12 (0.43) SMN1; SMN2CTSSSLC22A12CTSLCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 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 (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-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease RORB, RORC, RORA PPARG 35/4885EPHX2 2616/4885SMN1; SMN2 2997/4885

“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.