SCHEMBL3366596

SCHEMBL3366596

CCCOc1ccc(F)c(F)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3363155 0.86 LMNA (0.42) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL3363639 0.85 FDPS (0.41) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL24716978 0.83 L3MBTL1 (0.37) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL18053755 0.81 GAA (0.41) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL2924547 0.80 TDP1 (0.36) GAATDP1L3MBTL1ADRB2ADRB1
SCHEMBL3110790 0.80 FDPS (0.38) GAATDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL18297562 0.80 L3MBTL1 (0.47) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL878717 0.79 L3MBTL1 (0.52) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL19795473 0.78 L3MBTL1 (0.43) GAATDP1L3MBTL1CYP2C19KMT2A
SCHEMBL18053756 0.77 GAA (0.39) GAATDP1L3MBTL1CYP3A4CYP2C9

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-1996590-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS GAA 4105/4885TDP1 3143/4885L3MBTL1 2980/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 GAA 2739/4885TDP1 3690/4885L3MBTL1 4475/4885

“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.