SCHEMBL4819795

SCHEMBL4819795

OCCCNCCCCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.77
S1PR2 O95136 1/20 0.60
S1PR4 O95977 1/20 0.60
S1PR1 P21453 1/20 0.60
S1PR3 Q99500 1/20 0.60

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
SCHEMBL26985759 0.96 SIGMAR1 (0.77) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL7360959 0.94 SIGMAR1 (0.81) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL7296296 0.94 SIGMAR1 (0.81) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8935187 0.94 SIGMAR1 (0.79) SIGMAR1
SCHEMBL27456705 0.92 SIGMAR1 (0.77) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL7298415 0.92 SIGMAR1 (0.76) SIGMAR1
SCHEMBL1774154 0.90 SIGMAR1 (0.81) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL536909 0.90 SIGMAR1 (0.73) SIGMAR1
SCHEMBL8084220 0.89 SIGMAR1 (0.95) SIGMAR1
Hydrochloric Acid SCHEMBL6891160 0.88 SIGMAR1 (0.70) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2780026-A2 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP 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-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 SIGMAR1 675/4885S1PR2 883/4885S1PR4 313/4885
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC SIGMAR1 3563/4885S1PR2 4755/4885S1PR4 4797/4885

“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.