SCHEMBL3812435

SCHEMBL3812435

COc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
FOLH1 Q04609 3/20 0.46
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
PRSS1 P07477 2/20 0.44
F7 P08709 2/20 0.44
PRSS2 P07478 1/20 0.44
F3 P13726 1/20 0.44
PRSS3 P35030 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.42
LDHA P00338 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL31724343 1.00 KDM4E (0.48) KDM4EACHEALDH1A1GAAFOLH1
SCHEMBL4683971 0.90 CTSS (0.43) KDM4EALDH1A1GAAFOLH1CTSS
SCHEMBL10806937 0.90 TSHR (0.58) ACHEGAAFOLH1CTSSCTSK
SCHEMBL4683972 0.90 CTSS (0.43) KDM4EALDH1A1GAAFOLH1CTSS
SCHEMBL23413677 0.89 FOLH1 (0.42) KDM4EACHEALDH1A1GAAFOLH1
SCHEMBL3814665 0.88 TAS1R3 (0.44) KDM4EALDH1A1GAAFOLH1CTSS
SCHEMBL3375654 0.88 AAK1 (0.46) KDM4EALDH1A1GAAFOLH1CTSS
SCHEMBL23414088 0.87 FOLH1 (0.42) KDM4EACHEALDH1A1GAAFOLH1
SCHEMBL9510587 0.87 ACHE (0.54) ACHEFOLH1F2F10PRSS1
SCHEMBL9510591 0.87 ACHE (0.54) ACHEFOLH1F2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 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-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU KDM4E 704/4885ACHE 84/4885ALDH1A1 552/4885

“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.