SCHEMBL4023862

SCHEMBL4023862

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.38
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
P2RY12 Q9H244 3/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CHEK2 O96017 1/20 0.30
QPCT Q16769 2/20 0.30
PDE2A O00408 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
SCHEMBL843993 0.88 MAP2K1 (0.37) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL859794 0.88 MAP2K1 (0.37) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL844826 0.88 MAP2K1 (0.37) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL10076793 0.88 MAP2K1 (0.37) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL843963 0.87 MAP2K1 (0.41) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL13950768 0.87 MAP2K1 (0.41) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL843962 0.87 MAP2K1 (0.41) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL858440 0.86 MAP2K1 (0.39) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL844360 0.86 MAP2K1 (0.41) MAP2K1PDE3BPDE3AP2RY12ESR1
SCHEMBL13950575 0.86 MAP2K1 (0.39) MAP2K1PDE3BPDE3AP2RY12ESR1

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 2 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-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 35/4885PDE3B 3032/4885PDE3A 2963/4885

“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.