SCHEMBL844291

SCHEMBL844291

CC(C)(C)OCCOc1ccc(C2NC(=O)N([C@@H](Cc3ccccc3)c3nc4cc(I)ccc4[nH]3)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.37
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL844290 1.00 MAP2K1 (0.37) MAP2K1S1PR1S1PR3NR1H4ALDH1A1
SCHEMBL844361 0.89 MAP2K1 (0.41) MAP2K1S1PR1S1PR3LMNA
SCHEMBL844360 0.89 MAP2K1 (0.41) MAP2K1S1PR1S1PR3LMNA
SCHEMBL843993 0.83 MAP2K1 (0.37) MAP2K1ALDH1A1PTPN1
SCHEMBL859794 0.83 MAP2K1 (0.37) MAP2K1ALDH1A1PTPN1
SCHEMBL844826 0.83 MAP2K1 (0.37) MAP2K1ALDH1A1PTPN1
SCHEMBL10076793 0.83 MAP2K1 (0.37) MAP2K1ALDH1A1PTPN1
SCHEMBL844406 0.83 MAP2K1 (0.41) MAP2K1S1PR1S1PR3PTPN1
SCHEMBL844101 0.83 MAP2K1 (0.41) MAP2K1S1PR1S1PR3PTPN1
SCHEMBL29055707 0.83 MAP2K1 (0.41) MAP2K1S1PR1S1PR3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 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-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 MAP2K1 35/4885S1PR1 1177/4885S1PR3 1360/4885

“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.