SCHEMBL691971

SCHEMBL691971

CCC(CC)(Oc1ccc(Cl)cc1/C=C1/C(=O)Nc2cc(Cl)ccc21)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1739887 0.94 KMT2A (0.46) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1738906 0.89 MDM2 (0.42) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL692884 0.87 MDM2 (0.53) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2424758 0.84 MDM2 (0.52) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7828821 0.84 MDM2 (0.52) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL692330 0.84 MDM2 (0.48) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2423204 0.82 FBP1 (0.55) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3661176 0.82 FBP1 (0.55) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1738903 0.82 FBP1 (0.55) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3660869 0.81 MDM2 (0.55) MDM2TUBB4ATUBBTUBA3CTUBA1B

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 15 patents. 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
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
WO-2010121995-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO 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
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 (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 MDM2 426/4885TUBB4A 1532/4885TUBB 1396/4885
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 MDM2 531/4885TUBB4A 187/4885TUBB 212/4885
US-20100273819-A1 3,3'-Spiroindolinone Derivatives SIK3, RB1, CCND3 MDM2 508/4885TUBB4A 736/4885TUBB 685/4885

“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.