SCHEMBL4852264

SCHEMBL4852264

O=C(NOC1(CO)CC1)c1ccc(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.50
MAP2K2 P36507 5/20 0.50
BRAF P15056 1/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K5 Q13163 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL4861812 0.90 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5KCNH2
SCHEMBL4860934 0.90 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL7051235 0.89 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5
SCHEMBL4861910 0.89 MAP2K1 (0.52) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861906 0.86 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4857052 0.86 MAP2K1 (0.47) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861541 0.84 MAP2K1 (0.68) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861755 0.84 MAP2K1 (0.53) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4856798 0.82 MAP2K1 (0.54) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4856919 0.81 MAP2K1 (0.72) MAP2K1MAP2K2MAP2K5CYP3A4CYP2C9

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
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAP2K1 4341/4885MAP2K2 4268/4885BRAF 2570/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAP2K1 4312/4885MAP2K2 4025/4885BRAF 3478/4885

“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.