SCHEMBL6846596

SCHEMBL6846596

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2NC(=O)c2ccc(F)c(OS(=O)(=O)C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.42
TTR P02766 1/20 0.41
RBP4 P02753 1/20 0.40
TP53 P04637 3/20 0.39
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 1/20 0.37
RORC P51449 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 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
SCHEMBL6844735 0.88 RBP4 (0.43) MAPTLMNATTRRBP4TP53
SCHEMBL6846600 0.87 MAPT (0.42) MAPTLMNATP53ALDH1A1BACE1
SCHEMBL6846605 0.86 TTR (0.43) MAPTLMNATTRRBP4BACE1
SCHEMBL6846439 0.80 BACE1 (0.43) MAPTRBP4BACE1
SCHEMBL6844702 0.79 GPR119 (0.39) MAPTLMNARBP4BACE1
SCHEMBL14992499 0.77 PDK2 (0.50) MAPTLMNAALDH1A1
SCHEMBL6846652 0.76 ADORA2A (0.39) MAPTLMNA
SCHEMBL4249931 0.74 GPR119 (0.47) MAPTLMNATP53ALDH1A1
SCHEMBL6844737 0.74 TOP1 (0.42) MAPTLMNATP53BACE1
SCHEMBL6846837 0.73 MAP3K20 (0.36) MAPTLMNA

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885LMNA 4001/4885TTR 3487/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885LMNA 4001/4885TTR 3487/4885

“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.