SCHEMBL2496442

SCHEMBL2496442

CC(C)(C)N(C(=O)O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
PDK1 Q15118 1/20 0.44
S1PR1 P21453 3/20 0.43
GRM4 Q14833 1/20 0.43
CNR2 P34972 1/20 0.42
NOTUM Q6P988 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.40
SLC6A3 Q01959 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL23270200 0.86 CHEK2 (0.43) KDRPDK1CNR2NOTUMLMNA
SCHEMBL1029350 0.82 CYP3A4 (0.42) LMNAMAPTNPSR1ALDH1A1TSHR
SCHEMBL17257958 0.81 POLB (0.37) LMNAMAPTNPSR1
SCHEMBL2436022 0.80 KIF11 (0.44)
SCHEMBL17601115 0.80 CYP3A4 (0.38) PDK1LMNASMN1; SMN2MAPTNPSR1
SCHEMBL27925334 0.77 HTR3E (0.50) KDRPDK1S1PR1GRM4LMNA
SCHEMBL20473423 0.77 PIK3CD (0.38) GRM4SMN1; SMN2MAPTGAANPSR1
SCHEMBL11001481 0.76 SMN1; SMN2 (0.49) S1PR1LMNASMN1; SMN2MAPTSLC6A3
SCHEMBL58712 0.76 GRM4 (0.46) KDRPDK1S1PR1GRM4NOTUM
SCHEMBL2116607 0.76 POLB (0.35) LMNASMN1; SMN2MAPTNPSR1ALDH1A1

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 4 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

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 KDR 87/4885PDK1 1722/4885S1PR1 837/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 KDR 92/4885PDK1 144/4885S1PR1 1125/4885

“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.