SCHEMBL705297

SCHEMBL705297

CCC(Oc1ccc(Cl)cc1C=O)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
ERN1 O75460 3/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL2329831 0.88 ALDH1A1 (0.44) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL5561336 0.86 PPARA (0.48) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL1332621 0.86 PPARA (0.48) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL2560273 0.85 MEN1 (0.43) ALDH1A1POLBGAAKDM4ERAB9A
SCHEMBL21381326 0.83 SMN1; SMN2 (0.57) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL28257746 0.82 TSHR (0.55) ALDH1A1POLBGAAKDM4ERAB9A
SCHEMBL1332620 0.82 TSHR (0.48) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL692616 0.80 PTGDR2 (0.41) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL2330339 0.77 PPARA (0.44) ALDH1A1MAPTTDP1L3MBTL1TSHR
SCHEMBL29956946 0.76 SMN1; SMN2 (0.52) ALDH1A1GAAKDM4ESMN1; SMN2MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421866-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
US-8076482-B2 3,3′-spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-13 US disclosed
US-8076482-B2 3,3′-spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-13 US disclosed
US-8076482-B2 3,3′-spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-13 US disclosed
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
EP-2235017-B1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-09-14 EP disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 US disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 US disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 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
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
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-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 (3 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 ALDH1A1 118/4885POLB 3064/4885GAA 2271/4885
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 ALDH1A1 463/4885POLB 207/4885GAA 2970/4885
US-20100273819-A1 3,3'-Spiroindolinone Derivatives SIK3, RB1, CCND3 ALDH1A1 1228/4885POLB 2539/4885GAA 2807/4885

“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.