SCHEMBL3038375

SCHEMBL3038375

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.50
ERN1 O75460 5/20 0.41
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
PPARA Q07869 3/20 0.38
TSHR P16473 3/20 0.38
ABCB11 O95342 2/20 0.38
HTR2A P28223 2/20 0.38
PMP22 Q01453 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C19 P33261 2/20 0.36
PKM P14618 1/20 0.36
CYP2D6 P10635 1/20 0.36
USP2 O75604 1/20 0.34

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
SCHEMBL21571752 0.89 FBP1 (0.42) FBP1ERN1CYP1A2CYP3A4PPARA
SCHEMBL692271 0.87 FBP1 (0.51) FBP1ERN1CYP1A2CYP3A4PPARA
SCHEMBL1332622 0.84 PPARA (0.53) FBP1ERN1CYP1A2CYP3A4PPARA
SCHEMBL1116629 0.84 FBP1 (0.69) FBP1CYP1A2CYP3A4PPARATSHR
SCHEMBL22688970 0.80 HSD11B1 (0.44) FBP1CYP1A2CYP3A4PPARATSHR
SCHEMBL14414939 0.77 TUBB1 (0.44) FBP1ERN1CYP1A2TSHRTDP1
SCHEMBL4209173 0.76 MDM2 (0.52) FBP1TDP1KMT2AKDM4EMAPT
SCHEMBL3716707 0.76 MDM2 (0.52) FBP1TDP1KMT2AKDM4EMAPT
SCHEMBL3721171 0.76 MDM2 (0.52) FBP1TDP1KMT2AKDM4EMAPT
SCHEMBL21571685 0.75 PTGDR2 (0.40) FBP1ERN1CYP1A2ALDH1A1KDM4E

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
US-8217051-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
US-8217051-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
US-8217051-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
EP-2398801-A1 3, 3' -SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094622-A1 3, 3' -SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
WO-2010094622-A1 3, 3' -SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210674-A1 Spiroindolinone Derivatives HOFFMANN-LA ROCHE INC. 2010-08-19 US disclosed
US-20100210674-A1 Spiroindolinone Derivatives HOFFMANN-LA ROCHE INC. 2010-08-19 US disclosed
US-20100210674-A1 Spiroindolinone Derivatives HOFFMANN-LA ROCHE INC. 2010-08-19 US 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
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US 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
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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 FBP1 4238/4885ERN1 974/4885CYP1A2 782/4885
US-20100210674-A1 Spiroindolinone Derivatives RCC2, PKD1, SIK2 FBP1 3722/4885ERN1 1142/4885CYP1A2 1504/4885

“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.