Sugi Predict

Sugi Predict / Compounds / SCHEMBL4858835

SCHEMBL4858835

SCHEMBL4858835

O=C(NOCCC1(O)CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 18/20 0.69
▸ MAP2K2 P36507 9/20 0.69
▸ RAF1 P04049 1/20 0.69
▸ PDGFRB P09619 1/20 0.69
▸ CSNK2A2 P19784 1/20 0.69
▸ CSNK2B P67870 1/20 0.69
▸ CSNK2A1 P68400 1/20 0.69
▸ CSNK2A3 Q8NEV1 1/20 0.69
▸ AURKC Q9UQB9 1/20 0.69
▸ CAMK2A Q9UQM7 1/20 0.69
▸ PIM1 P11309 1/20 0.59
▸ CAMK2B Q13554 1/20 0.59
▸ HDAC3 O15379 2/20 0.57
▸ HDAC4 P56524 2/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC7 Q8WUI4 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57

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
SCHEMBL7118607 0.93 MAP2K1 (0.61) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861642 0.92 MAP2K1 (0.74) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861507 0.91 MAP2K1 (0.57) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861784 0.91 MAP2K1 (0.72) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4863924 0.90 MAP2K1 (0.55) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4851910 0.89 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4860139 0.87 MAP2K1 (0.54) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4858468 0.87 MAP2K1 (0.69) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861211 0.86 MAP2K1 (0.82) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4854744 0.86 MAP2K1 (0.50) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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-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 4268/4885RAF1 4078/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAP2K1 4312/4885MAP2K2 4025/4885RAF1 4379/4885

“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.