SCHEMBL3661168

SCHEMBL3661168

CC(C)(C)NS(=O)(=O)COc1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)OC(C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 5/20 0.34
STS P08842 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
JAK2 O60674 1/20 0.32
ZAP70 P43403 1/20 0.32
PTGER1 P34995 2/20 0.32
SCN9A Q15858 2/20 0.31
MEN1 O00255 2/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 1/20 0.31
SNCA P37840 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 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
SCHEMBL7842900 1.00 PTGDR2 (0.35) PTGDR2KMT2ASTSMAPTKDM4E
SCHEMBL3662827 0.89 KMT2A (0.34) PTGDR2KMT2ASTSMAPTKDM4E
SCHEMBL699140 0.85 PTGDR2 (0.39) PTGDR2KMT2AMAPTKDM4ETDP1
SCHEMBL3663350 0.84 IDO1 (0.40) KMT2AKDM4ESCN9AMEN1ALDH1A1
SCHEMBL13929386 0.83 CNR1 (0.36) KMT2ASTSMAPTMEN1APP
SCHEMBL3662809 0.83 KMT2A (0.33) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL7842206 0.83 KMT2A (0.33) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL13929371 0.83 KMT2A (0.34) PTGDR2KMT2AMAPTKDM4ETDP1
SCHEMBL7841390 0.82 KMT2A (0.38) PTGDR2KMT2AMAPTKDM4ETDP1
SCHEMBL13929266 0.82 KMT2A (0.36) KMT2AMAPTKDM4ETDP1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235017-A1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-7776875-B2 such as 2'S,3S,4'R)-6-chloro-4'-{5-chloro-2-[1-methyl-1-(1-methyl-piperidin-4-ylcarbamoyl)-ethoxy]-phenyl}-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione, used as antiproliferative agents, especially, as anticarcinogenic agents HOFFMAN-LA ROCHE INC. (US) 2010-08-17 US disclosed
WO-2009080488-A1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163512-A1 such as 2'S,3S,4'R)-6-chloro-4'-{5-chloro-2-[1-methyl-1-(1-methyl-piperidin-4-ylcarbamoyl)-ethoxy]-phenyl}-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione, used as antiproliferative agents, especially, as anticarcinogenic agents CHEN LI 2009-06-25 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-20090163512-A1 such as 2'S,3S,4'R)-6-chloro-4'-{5-chloro-2-[1-methyl-1-(1-methyl-piperidin-4-ylcarbamoyl)-ethoxy]-phenyl}-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione, used as antiproliferative agents, especially, as anticarcinogenic agents TOP2B, TOP2A, CCNY PTGDR2 1288/4885KMT2A 416/4885STS 2045/4885

“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.