SCHEMBL1965137

SCHEMBL1965137

C=C(c1ccc(I)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
GSK3B P49841 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
APP P05067 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
APEX1 P27695 1/20 0.31
PMP22 Q01453 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL8461563 0.87 MAPT (0.35) CA1CA2
SCHEMBL9626474 0.78 MAPT (0.52) CA1CA2CYP1A2CYP2D6PMP22
SCHEMBL12981369 0.78 ALDH1A1 (0.44) GSK3BCYP2D6
SCHEMBL2012718 0.76 CES2 (0.42) CA1CA2
SCHEMBL2017897 0.76 CES2 (0.42) CA1CA2
SCHEMBL693987 0.75 SMN1; SMN2 (0.50) CYP2D6
SCHEMBL14530150 0.74 TSHR (0.55) TPMTCA1CA2
SCHEMBL19675411 0.74 MEN1 (0.55)
Hydrogen Sulfide SCHEMBL29028321 0.73 SMN1; SMN2 (0.48) CYP2D6
SCHEMBL24905722 0.73

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-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
CN-102656147-A Spiro indole-cyclopropane indolinones useful as AMPK modulators HOFFMANN LA ROCHE 2012-09-05 CN disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 TPMT 3431/4885GSK3B 1183/4885CA1 3275/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 TPMT 3390/4885GSK3B 1209/4885CA1 3264/4885

“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.