SCHEMBL1111458

SCHEMBL1111458

CC(C)(O)C(O)CCOc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.76
CA2 P00918 3/20 0.51
MAP2K2 P36507 3/20 0.47
CHEK1 O14757 1/20 0.44
MAPK10 P53779 1/20 0.44
PRKAG1 P54619 1/20 0.44
ADCK1 Q86TW2 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PIM1 P11309 1/20 0.43
CAMK2B Q13554 1/20 0.43

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
SCHEMBL1111473 0.87 MAP2K1 (0.68) MAP2K1MAP2K2
SCHEMBL17121641 0.86 MAP2K1 (1.00) MAP2K1
SCHEMBL1111486 0.86 MAP2K1 (1.00) MAP2K1
SCHEMBL12831816 0.86 MAP2K1 (1.00) MAP2K1
SCHEMBL2725624 0.83 MAP2K1 (0.77) MAP2K1
SCHEMBL2954977 0.79 MAP2K1 (0.69) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL14022035 0.77 MAP2K1 (0.83) MAP2K1
SCHEMBL4545277 0.76 MAP2K1 (0.68) MAP2K1
SCHEMBL31354748 0.74 MAP2K1 (0.67) MAP2K1CA2MAP2K2
SCHEMBL2953672 0.74 MAP2K1 (0.67) MAP2K1CA2MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US claimed
EP-2279166-A1 SUBSTITUTED PHENOXYBENZAMIDES Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 EP claimed
WO-2009129938-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 WO claimed
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 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 (1 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-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES CCNB3, VEGFA, CCND2 MAP2K1 3245/4885CA2 2355/4885MAP2K2 2666/4885

“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.