SCHEMBL13765313

SCHEMBL13765313

C[C@@H](c1ccccc1)[C@@H](c1nc2cc(I)ccc2[nH]1)N1C(=O)N[C@H](c2ccc(OCCO)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.49
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
P2RY12 Q9H244 1/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
MDM2 Q00987 2/20 0.31
LMNA P02545 1/20 0.31
ALPL P05186 1/20 0.31
F9 P00740 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
SCHEMBL10076794 1.00 MAP2K1 (0.49) MAP2K1ESR1ESR2S1PR1S1PR3
SCHEMBL844213 0.94 MAP2K1 (0.49) MAP2K1ESR1ESR2S1PR1S1PR3
SCHEMBL844212 0.94 MAP2K1 (0.49) MAP2K1ESR1ESR2S1PR1S1PR3
SCHEMBL30536457 0.94 MAP2K1 (0.49) MAP2K1ESR1ESR2S1PR1S1PR3
SCHEMBL29055719 0.94 MAP2K1 (0.49) MAP2K1ESR1ESR2S1PR1S1PR3
SCHEMBL844132 0.94 MAP2K1 (0.49) MAP2K1ESR1ESR2S1PR1S1PR3
SCHEMBL13765315 0.92 MAP2K1 (0.45) MAP2K1ESR1S1PR1S1PR3MAPK1
SCHEMBL13950576 0.92 MAP2K1 (0.45) MAP2K1ESR1S1PR1S1PR3MAPK1
SCHEMBL13950330 0.91 MAP2K1 (0.49) MAP2K1ESR1ESR2S1PR1S1PR3
SCHEMBL13765317 0.91 MAP2K1 (0.49) MAP2K1ESR1ESR2S1PR1S1PR3

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-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US 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
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 35/4885ESR1 1621/4885ESR2 654/4885

“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.