SCHEMBL2499425

SCHEMBL2499425

CCOC(=O)C(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
F2R P25116 1/20 0.46
TSHR P16473 1/20 0.46
KCNK3 O14649 4/20 0.45
KCNK9 Q9NPC2 4/20 0.45
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
PLIN1 O60240 1/20 0.44
POLB P06746 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL16672888 0.85 F2R (0.44) CYP11B1CYP11B2F2RTSHRKCNK3
SCHEMBL1127848 0.84 TSHR (0.62) F2RTSHRKCNK3KCNK9HCRTR1
SCHEMBL16672598 0.84 F2R (0.46) CYP11B1CYP11B2F2RTSHRKCNK3
SCHEMBL14936588 0.81 HCRTR1 (0.57) TSHRHCRTR1MEN1KMT2AMAPT
SCHEMBL29537998 0.81 HCRTR1 (0.57) TSHRHCRTR1MEN1KMT2AMAPT
SCHEMBL30322741 0.81 KMT2A (0.60) TSHRKCNK3KCNK9MEN1KMT2A
SCHEMBL4589656 0.81 KMT2A (0.60) TSHRKCNK3KCNK9MEN1KMT2A
SCHEMBL25211446 0.80 EGLN1 (0.43) F2RTSHRKCNK3KCNK9HCRTR1
SCHEMBL5837400 0.78 TSHR (0.49) F2RTSHRKCNK3KCNK9MEN1
SCHEMBL13780116 0.78 F2R (0.50) CYP11B1CYP11B2F2RTSHRKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-7528124-B2 1,3-dihydro-2H-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-05-05 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1659121-A1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-05-24 EP 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-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A CYP11B1 387/4885CYP11B2 381/4885F2R 153/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 CYP11B1 169/4885CYP11B2 167/4885F2R 113/4885

“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.