SCHEMBL1163645

SCHEMBL1163645

CCCCCCSN1C(=O)C=CC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.52
FAAH O00519 4/20 0.52
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GMNN O75496 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL10929035 1.00 MGLL (0.52) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL22407268 0.78 MGLL (0.46) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL10931031 0.76 MGLL (0.41) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL10794655 0.76 MGLL (0.41) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL3626814 0.76 MGLL (0.41) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL1163868 0.75 MGLL (0.34) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL10930441 0.74 NR1H2 (0.49) ALDH1A1SOAT1
SCHEMBL2426919 0.74 NR1H2 (0.49) ALDH1A1SOAT1
SCHEMBL7747515 0.74 NR1H2 (0.49) ALDH1A1SOAT1
SCHEMBL5847509 0.73 FAAH (0.39) MGLLFAAHPTGS1PTGS2ALDH1A1

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 16 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-20120190124-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2012-07-26 US disclosed
US-20120190579-A1 Functionalisation of Solid Substrates UCL BUSINESS PLC (GB) 2012-07-26 US disclosed
EP-2464974-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL Business PLC (GB) 2012-06-20 EP 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
WO-2011018613-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL BUSINESS PLC (GB) 2011-02-17 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 (8 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 MGLL 4714/4885FAAH 1171/4885PTGS1 159/4885
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MGLL 4714/4885FAAH 1171/4885PTGS1 159/4885
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MGLL 4714/4885FAAH 1171/4885PTGS1 159/4885
US-20120190579-A1 Functionalisation of Solid Substrates XDH, SPR, DAO MGLL 3777/4885FAAH 3672/4885PTGS1 2356/4885
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MGLL 4714/4885FAAH 1171/4885PTGS1 159/4885
US-10548982-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MGLL 4714/4885FAAH 1171/4885PTGS1 159/4885
US-10933142-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MGLL 4714/4885FAAH 1171/4885PTGS1 159/4885
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES F12, F13A1, F2 MGLL 4698/4885FAAH 874/4885PTGS1 168/4885

“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.