SCHEMBL3498625

SCHEMBL3498625

CC(C)(C)OC[C@H](N=C=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34

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
SCHEMBL3498626 1.00 MAPK1 (0.38) MAPK1GRNSORT1
SCHEMBL6896905 0.82 MAPK1 (0.35) MAPK1GRNSORT1
SCHEMBL2736223 0.82 MAPK1 (0.35) MAPK1GRNSORT1
SCHEMBL28856630 0.81 MAPK1 (0.34) MAPK1
SCHEMBL28856629 0.81 MAPK1 (0.34) MAPK1
SCHEMBL1204844 0.80 MEN1 (0.31)
SCHEMBL7839696 0.79
SCHEMBL7839698 0.79
SCHEMBL827494 0.78 MEN1 (0.30)
SCHEMBL30945834 0.78 MAPK1 (0.32) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
CN-115190901-A Carbodiimide composition, curing agent composition, coating composition, and resin cured product 旭化成株式会社 2022-10-14 CN disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
US-6699872-B2 N-substituted urea inhibitors of farnesyl-protein transferase SCHERING CORPORATION 2004-03-02 US disclosed
US-20020119981-A1 Novel N-substituted urea inhibitors of farnesyl-protein transferase REMISZEWSKI STACY W (US) 2002-08-29 US disclosed
US-6358968-B1 FOR INHIBITING THE ABNORMAL GROWTH OF CELLS SCHERING CORPORATION 2002-03-19 US disclosed
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
EP-0989979-A1 NOVEL N-SUBSTITUTED UREA INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-04-05 EP disclosed
WO-1998057948-A1 NOVEL N-SUBSTITUTED UREA INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-12-23 WO 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 (3 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA MAPK1 126/4885GRN 3305/4885SORT1 4836/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 MAPK1 951/4885GRN 3958/4885SORT1 4515/4885
US-20020119981-A1 Novel N-substituted urea inhibitors of farnesyl-protein transferase FNTA, FNTB, UBTF MAPK1 2200/4885GRN 3798/4885SORT1 4180/4885

“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.