SCHEMBL2829556

SCHEMBL2829556

CC(C)OC(=O)OC(C)(c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c2cccc(F)c12)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 1/20 0.37
TLR7 Q9NYK1 2/20 0.34
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGES O14684 1/20 0.32
TLR8 Q9NR97 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 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
SCHEMBL4415348 0.79 GABRA2 (0.40) RORCCYP2C9CYP3A4CYP2C19TLR7
SCHEMBL2830711 0.74 HPGD (0.44) RORCCYP2C9CYP3A4CYP2C19GABRA2
SCHEMBL980293 0.74 RORC (0.37) RORCCYP2C9CYP3A4CYP2C19GABRA2
SCHEMBL2828899 0.69 HPGD (0.43) RORCCYP2C9CYP2C19GABRA2GABRB2
SCHEMBL2834112 0.68 GABRA2 (0.43) CYP2C9CYP2C19GABRA2GABRB2ALDH1A1
SCHEMBL980587 0.67 GABRA2 (0.40) RORCGABRA2GABRB2L3MBTL1ALDH1A1
SCHEMBL2831134 0.67 HPGD (0.41) CYP2C9CYP2C19GABRA2GABRB2ALDH1A1
SCHEMBL2828429 0.65 GABRA2 (0.45) RORCCYP2C9CYP2C19GABRA2GABRB2
SCHEMBL2829188 0.63 MAPT (0.42) RORCCYP2C9CYP3A4CYP2C19GABRA2
SCHEMBL4411178 0.62 GABRA2 (0.44) RORCCYP2C9CYP2C19GABRA2GABRB2

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
EP-1945611-B1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2010-01-06 EP disclosed
US-20090227538-A1 N-(Hetero)Aryl Indole Derivatives as Pesticides NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-1783114-A1 N-(hetero)aryl indole derivatives as pesticides Novartis AG (CH) 2007-05-09 EP 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-20090227538-A1 N-(Hetero)Aryl Indole Derivatives as Pesticides IDO1, IDO2, CHRM1 RORC 1420/4885CYP2C9 23/4885CYP3A4 98/4885

“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.