SCHEMBL1739946

SCHEMBL1739946

CCC(CC)(Oc1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)OC(C)(C)C)c2cc(Br)ccc21)C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
PLA2G1B P04054 1/20 0.32
DNMT1 P26358 1/20 0.32
GFER P55789 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
AMY1A P0DUB6 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PLK4 O00444 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1738979 0.94 KMT2A (0.34) FBP1KMT2AMEN1AMY1A
SCHEMBL1740283 0.87 CMA1 (0.33) FBP1KMT2AMEN1
SCHEMBL13929317 0.85 MEN1 (0.36) KMT2AMEN1POLBPLA2G1BDNMT1
SCHEMBL699507 0.84 FBP1 (0.38) FBP1KMT2AMEN1AMY1A
SCHEMBL2422274 0.83 FBP1 (0.45) FBP1KMT2AMEN1POLBPLA2G1B
SCHEMBL2422277 0.83 FBP1 (0.45) FBP1KMT2AMEN1POLBPLA2G1B
SCHEMBL3662809 0.81 KMT2A (0.33) KMT2AMEN1AMY1AALDH1A1HPGD
SCHEMBL7842206 0.81 KMT2A (0.33) KMT2AMEN1AMY1AALDH1A1HPGD
SCHEMBL1740272 0.81 FBP1 (0.40) FBP1KMT2AMEN1ALDH1A1
SCHEMBL1739882 0.81 FBP1 (0.40) FBP1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389381-A1 SPIROINDOLINONE DERIVATIVE PRODRUGS F. Hoffmann-La Roche AG (CH) 2011-11-30 EP disclosed
US-8038247-B2 Recording apparatus and recording method CANON KABUSHIKI KAISHA (JP) 2011-10-18 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
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-20100190814-A1 SPIROINDOLINONE DERIVATIVE PRODRUGS CHEN LI 2010-07-29 US disclosed
US-20100190814-A1 SPIROINDOLINONE DERIVATIVE PRODRUGS CHEN LI 2010-07-29 US disclosed
WO-2010084097-A1 SPIROINDOLINONE DERIVATIVE PRODRUGS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 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

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-20100190814-A1 SPIROINDOLINONE DERIVATIVE PRODRUGS CCNE1, CCNE2, CCND1 FBP1 2140/4885KMT2A 1443/4885MEN1 951/4885
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 FBP1 2308/4885KMT2A 416/4885MEN1 4407/4885

“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.