SCHEMBL845087

SCHEMBL845087

CC(C)(C)OCCOc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)c2nc3cc(I)ccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.40
S1PR3 Q99500 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAPK1 P28482 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL845088 1.00 PTPN1 (0.43) PTPN1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL844990 0.89 CYP1A2 (0.43) PTPN1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL844991 0.89 CYP1A2 (0.43) PTPN1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL844288 0.84 CYP1A2 (0.52) PTPN1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL630992 0.74 PTPN1 (0.66) PTPN1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL24143407 0.74 CYP1A2 (0.67) PTPN1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4982349 0.73 PTPN1 (0.49) PTPN1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL1349670 0.71 S1PR3 (0.44) PTPN1S1PR3CTSSCTSKSCN9A
SCHEMBL1349672 0.71 S1PR3 (0.44) PTPN1S1PR3CTSSCTSKSCN9A
SCHEMBL1349671 0.71 S1PR3 (0.44) PTPN1S1PR3CTSSCTSKSCN9A

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 PTPN1 672/4885CYP3A4 2828/4885CYP1A2 1001/4885

“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.