SCHEMBL295416

SCHEMBL295416

CS(=O)(=O)N1CCC(NOC(=O)C(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
EPHX2 P34913 4/20 0.45
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SMYD3 Q9H7B4 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
NPY5R Q15761 1/20 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
SCHEMBL2680036 0.85 CNR1 (0.33) EPHX2
SCHEMBL2225425 0.78
SCHEMBL27716512 0.78 PKM (0.36)
SCHEMBL15794940 0.75
SCHEMBL28626663 0.75 EPHX1 (0.34) EPHX2EPHX1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15655416 0.74 SCN9A (0.30)
SCHEMBL27746258 0.73 EPHX1 (0.41) EPHX2EPHX1ALDH1A1KDM4ENPSR1
SCHEMBL1787822 0.73 EPHX1 (0.41) EPHX2EPHX1ALDH1A1KDM4ENPSR1
SCHEMBL908356 0.72 ALDH1A1 (0.46) EPHX2EPHX1ALDH1A1LMNASMN1; SMN2
SCHEMBL3841283 0.71 CTSK (0.54) TP53EPHX2EPHX1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152714-B1 SPIROINDOLINONE DERIVATIVES AS MDM2-p53 INHIBITORS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-7834179-B2 6',7',8',9'-tetrahydro spiro[3H-indole-3,7'-(2H-pyrido[2,1-c][1,2,4]triazine)]-2,3'(1H)-dione compounds; small molecule inhibitors of the MDM2-p53 interaction HOFFMANN-LA ROCHE INC. (US) 2010-11-16 US disclosed
EP-1996590-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
US-20090318500-A1 4-(2, 6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide for the Treatment of Cancer ASTEX THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1996590-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-12-03 EP disclosed
US-20080293723-A1 SPIROINDOLINONE DERIVATIVES LIU JIN-JUN 2008-11-27 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 US disclosed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 US disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 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 (6 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS TP53 30/4885EPHX2 3338/4885EPHX1 2408/4885
US-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 TP53 89/4885EPHX2 3643/4885EPHX1 3432/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 TP53 25/4885EPHX2 3018/4885EPHX1 2658/4885
US-20090318500-A1 4-(2, 6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide for the Treatment of Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA5A, PDK4 TP53 7/4885EPHX2 2909/4885EPHX1 3223/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 TP53 72/4885EPHX2 4385/4885EPHX1 4161/4885
US-20080293723-A1 SPIROINDOLINONE DERIVATIVES RB1, SIRT3, AR TP53 35/4885EPHX2 4352/4885EPHX1 3230/4885

“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.