SCHEMBL1164840

SCHEMBL1164840

CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.65
▸ PRSS1 P07477 1/20 0.65
▸ PRSS2 P07478 1/20 0.65
▸ PRSS3 P35030 1/20 0.65
▸ TPSAB1 Q15661 1/20 0.65
▸ PKM P14618 3/20 0.61
▸ FOLH1 Q04609 4/20 0.59
▸ TDP1 Q9NUW8 5/20 0.56
▸ HSP90AB1 P08238 1/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ IDE P14735 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RIN1 Q13671 1/20 0.52

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
SCHEMBL30062300 1.00 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL269540 1.00 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19679441 1.00 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL30904598 0.99 F2 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20519813 0.97 PRSS1 (0.62) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13041591 0.95 F2 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15258705 0.95 F2 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24313157 0.94 F2 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10689008 0.94 TDP1 (0.58) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL31135784 0.93 TDP1 (0.61) F2PRSS1PRSS2PRSS3TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933142-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2021-03-02 — — US disclosed
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS LTD (GB) 2020-04-09 — — US disclosed
US-10548982-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2020-02-04 — — US disclosed
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2019-05-16 — — US disclosed
US-10174094-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2019-01-08 — — US disclosed
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS PLC (GB) 2016-06-23 — — US disclosed
US-9295729-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2016-03-29 — — US disclosed
EP-2889624-A2 Reversible covalent linkage of functional molecules UCL Business PLC (GB) 2015-07-01 — — EP disclosed
EP-2549276-B1 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2015-02-25 — — EP disclosed
EP-2549276-A2 Reversible covalent linkage of functional molecules UCL Business PLC (GB) 2013-01-23 — — EP disclosed
US-20120190579-A1 Functionalisation of Solid Substrates UCL BUSINESS PLC (GB) 2012-07-26 — — US disclosed
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2012-07-26 — — US disclosed
EP-2464972-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL Business PLC (GB) 2012-06-20 — — EP disclosed
WO-2011018611-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS PLC (GB) 2011-02-17 — — WO disclosed
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 — — US disclosed
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 — — US disclosed
WO-2007133714-A2 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2007-11-22 — — 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 (9 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-10174094-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 F2 3/4885PRSS1 2739/4885PRSS2 3219/4885
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 F2 3/4885PRSS1 2739/4885PRSS2 3219/4885
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 F2 3/4885PRSS1 2739/4885PRSS2 3219/4885
US-20120190579-A1 Functionalisation of Solid Substrates XDH, SPR, DAO F2 564/4885PRSS1 191/4885PRSS2 405/4885
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STUB1, SPR, DBI F2 1814/4885PRSS1 1538/4885PRSS2 699/4885
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 F2 3/4885PRSS1 2739/4885PRSS2 3219/4885
US-10548982-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 F2 3/4885PRSS1 2739/4885PRSS2 3219/4885
US-10933142-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 F2 3/4885PRSS1 2739/4885PRSS2 3219/4885
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES F12, F13A1, F2 F2 3/4885PRSS1 2635/4885PRSS2 3110/4885

“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.

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