SCHEMBL3663350

SCHEMBL3663350

CC(C)(C)OC(=O)NCCOc1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)OC(C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
DRD2 P14416 5/20 0.38
PDK2 Q15119 1/20 0.37
SCN9A Q15858 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
BRD4 O60885 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL699140 0.86 PTGDR2 (0.39) PTGS2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3662827 0.85 KMT2A (0.34) SCN9AALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL13929266 0.85 KMT2A (0.36) ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL3662809 0.85 KMT2A (0.33) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL13929376 0.85 KMT2A (0.35) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL7842206 0.85 KMT2A (0.33) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL13929371 0.84 KMT2A (0.34) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL7842900 0.84 PTGDR2 (0.35) SCN9AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3661168 0.84 PTGDR2 (0.35) SCN9AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7841390 0.84 KMT2A (0.38) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235017-B1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-09-14 EP disclosed
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
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
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
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
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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-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 IDO1 19/4885DRD2 199/4885PDK2 661/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS IDO1 3292/4885DRD2 816/4885PDK2 179/4885

“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.