SCHEMBL692616

SCHEMBL692616

CCCC(Oc1ccc(Cl)cc1C=O)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
FBP1 P09467 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
ANO1 Q5XXA6 1/20 0.39
ANO2 Q9NQ90 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERN1 O75460 1/20 0.38
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MAPT P10636 2/20 0.37
PPARA Q07869 3/20 0.36

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 0.83 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL12438330 0.83 ERN1 (0.41) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL2330339 0.80 PPARA (0.44) PTGDR2TSHRALDH1A1MAPK1TDP1
SCHEMBL705297 0.80 ALDH1A1 (0.42) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL1332621 0.79 PPARA (0.48) PTGDR2TSHRHPGDMEN1KMT2A
SCHEMBL5561336 0.79 PPARA (0.48) PTGDR2TSHRHPGDMEN1KMT2A
SCHEMBL14634986 0.78 PTGDR2 (0.46) PTGDR2TSHRHPGDMEN1KMT2A
SCHEMBL2560273 0.78 MEN1 (0.43) PTGDR2TSHRHPGDMEN1KMT2A
SCHEMBL5848063 0.77 FBP1 (0.39) PTGDR2FBP1TSHRHPGDANO1
SCHEMBL2421764 0.75 PTGDR2 (0.38) PTGDR2TSHRMEN1KMT2AALDH1A1

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 PTGDR2 354/4885FBP1 2140/4885TSHR 1129/4885
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 PTGDR2 1288/4885FBP1 2308/4885TSHR 2662/4885
US-20100273819-A1 3,3'-Spiroindolinone Derivatives SIK3, RB1, CCND3 PTGDR2 1263/4885FBP1 4455/4885TSHR 1695/4885

“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.