SCHEMBL4860798

SCHEMBL4860798

O=C(O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.60
MAP2K2 P36507 10/20 0.58
IDO1 P14902 2/20 0.51
KCNK2 O95069 1/20 0.47
KCNK10 P57789 1/20 0.47
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRA P18433 1/20 0.46
PTPRB P23467 1/20 0.46
PTPRE P23469 1/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL29413443 0.88 MAP2K1 (0.65) MAP2K1MAP2K2IDO1PTPRCPTPN2
SCHEMBL1488894 0.88 MAP2K1 (0.65) MAP2K1MAP2K2IDO1PTPRCPTPN2
SCHEMBL4860619 0.88 IDO1 (0.60) MAP2K1MAP2K2IDO1KCNK2KCNK10
SCHEMBL4860136 0.81 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL2022786 0.81 MAP2K1 (0.55) MAP2K1MAP2K2IDO1PTPRCPTPN2
SCHEMBL4860207 0.81 MAP2K1 (0.70) MAP2K1MAP2K2IDO1
SCHEMBL1488709 0.80 MAP2K1 (0.70) MAP2K1MAP2K2IDO1
SCHEMBL29413438 0.80 MAP2K1 (0.70) MAP2K1MAP2K2IDO1
SCHEMBL4861988 0.79 MAP2K1 (0.66) MAP2K1MAP2K2
SCHEMBL15624440 0.79 MAP2K1 (0.46) MAP2K1MAP2K2

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 7 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
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-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US 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

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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAP2K1 4341/4885MAP2K2 4268/4885IDO1 426/4885

“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.