SCHEMBL4135231

SCHEMBL4135231

CCCCCS(=O)(=O)ON1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
CA2 P00918 14/20 0.36
PRKCA P17252 1/20 0.35
CA1 P00915 8/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 3/20 0.32
CA7 P43166 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32

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
SCHEMBL27876125 0.92 FAAH (0.38) FAAHCA2PRKCACA1CA9
SCHEMBL27738968 0.90 FAAH (0.41) FAAHCA2PRKCACA1CA9
SCHEMBL29130496 0.87 GNAI3 (0.38) FAAHCA2PRKCA
SCHEMBL6048632 0.86 L3MBTL1 (0.35) FAAH
SCHEMBL28752430 0.86 THRB (0.38) FAAHCA2PRKCA
SCHEMBL27424270 0.86 GNAO1 (0.40) FAAHCA2PRKCA
SCHEMBL28463231 0.85 L3MBTL1 (0.33)
SCHEMBL9009668 0.84 L3MBTL1 (0.37)
SCHEMBL28519204 0.83 L3MBTL1 (0.32)
SCHEMBL465060 0.81 LMNA (0.39) CA12CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776447-B2 METHOD FOR PRODUCING OXO-VINYL-IONOL AND O-PROTECTED DERIVATIVES THEREOF BASF SE (DE) 2022-01-05 EP claimed
EP-2776447-B1 METHOD FOR PRODUCING OXO-VINYL-IONOL AND O-PROTECTED DERIVATIVES THEREOF BASF SE (DE) 2018-05-30 EP claimed
US-9061982-B2 Process for the preparation of oxovinylionol and its O-protected derivatives BASF SE (DE) 2015-06-23 US claimed
US-20130116473-A1 PROCESS FOR THE PREPARATION OF OXOVINYLIONOL AND ITS O-PROTECTED DERIVATIVES BASF SE (DE) 2013-05-09 US claimed
EP-2776447-B2 METHOD FOR PRODUCING OXO-VINYL-IONOL AND O-PROTECTED DERIVATIVES THEREOF BASF SE (DE) 2022-01-05 EP disclosed
US-9061982-B2 Process for the preparation of oxovinylionol and its O-protected derivatives BASF SE (DE) 2015-06-23 US disclosed
US-20130116473-A1 PROCESS FOR THE PREPARATION OF OXOVINYLIONOL AND ITS O-PROTECTED DERIVATIVES BASF SE (DE) 2013-05-09 US disclosed
US-20090270416-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER SENTINEL ONCOLOGY LIMITED (GB) 2009-10-29 US disclosed
EP-2038257-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS CHK1 INHIBITORS FOR THE TREATMENT OF CANCER Sentinel Oncology Limited (GB) 2009-03-25 EP disclosed
WO-2008139152-A1 N-OXIDE-CONTAINING PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2008-11-20 WO disclosed
WO-2008059259-A2 ANTICANCER COMPOUNDS WITH A BENZO ( 1, 2, 4 ) TRIAZIN-3YL-AMINE CORE SENTINEL ONCOLOGY LIMITED (GB) 2008-05-22 WO disclosed
WO-2007144579-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS CHK1 INHIBITORS FOR THE TREATMENT OF CANCER SENTINEL ONCOLOGY LIMITED (GB) 2007-12-21 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 (2 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-20130116473-A1 PROCESS FOR THE PREPARATION OF OXOVINYLIONOL AND ITS O-PROTECTED DERIVATIVES HAO2, VAT1, SOD3 FAAH 3321/4885CA2 948/4885PRKCA 3954/4885
US-20090270416-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER CHEK1, CHEK2, CDK1 FAAH 3853/4885CA2 1136/4885PRKCA 560/4885

“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.