SCHEMBL17047759

SCHEMBL17047759

CC1=CC(O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.40
CES2 O00748 1/20 0.34
AR P10275 1/20 0.33
ANXA2 P07355 1/20 0.33
S100A10 P60903 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ADRB1 P08588 1/20 0.33
CCR2 P41597 1/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 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
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL17047739 0.81 XPO1 (0.40) XPO1CES2ARANXA2S100A10
SCHEMBL18325153 0.75 FFAR4 (0.36) XPO1JUNNFKB1NFKB2RELA
SCHEMBL17047646 0.71 FAAH (0.42) MEN1KMT2AMAPTIDH1POLB
SCHEMBL17047703 0.70 XPO1 (0.44) XPO1CES2ARANXA2S100A10
SCHEMBL22059351 0.68 HTR7 (0.40) CES2ARADRB1CYP2C9CYP2C19
SCHEMBL17047810 0.67 XPO1 (0.56) XPO1CES2ARJUNNFKB1
SCHEMBL19807914 0.66 NPSR1 (0.40) ADRB1NPSR1MAPT
SCHEMBL17047640 0.65 HTR7 (0.35) CES2
SCHEMBL18325154 0.64 FFAR4 (0.39) XPO1JUNNFKB1NFKB2RELA
SCHEMBL11511660 0.64 AR (0.34) CES2ARADRB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110808-B1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-29 EP disclosed
US-9751867-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
EP-3110808-A1 PLANT GROWTH REGULATING COMPOUNDS Syngenta Participations AG (CH) 2017-01-04 EP disclosed
US-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-12-22 US disclosed
WO-2015128321-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-09-03 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-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS GHDC, GAK, EIF4G2 XPO1 3503/4885CES2 4218/4885AR 4788/4885

“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.