SCHEMBL20475142

SCHEMBL20475142

COc1ccc(C2CN(C(=O)OC(C)(C)C)CC2COS(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.54
STS P08842 2/20 0.44
MMP1 P03956 5/20 0.44
MMP9 P14780 5/20 0.44
MMP3 P08254 4/20 0.44
MMP7 P09237 4/20 0.44
RORC P51449 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP13 P45452 4/20 0.43
GPR119 Q8TDV5 1/20 0.40
MMP8 P22894 3/20 0.39
MMP2 P08253 2/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39

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
SCHEMBL23040383 1.00 PDE4B (0.54) PDE4BSTSMMP1MMP9MMP3
SCHEMBL23040382 1.00 PDE4B (0.54) PDE4BSTSMMP1MMP9MMP3
SCHEMBL20475143 1.00 PDE4B (0.54) PDE4BSTSMMP1MMP9MMP3
SCHEMBL29450269 0.91 STS (0.49) PDE4BSTSMMP1MMP9MMP3
SCHEMBL18618417 0.91 STS (0.49) PDE4BSTSMMP1MMP9MMP3
SCHEMBL18618432 0.91 STS (0.49) PDE4BSTSMMP1MMP9MMP3
SCHEMBL29585173 0.88 PDE4B (0.44) PDE4BSTSMMP1MMP9MMP3
SCHEMBL18618374 0.88 PDE4B (0.44) PDE4BSTSMMP1MMP9MMP3
SCHEMBL4005405 0.88 RORC (0.54) PDE4BSTSRORCGPR119
SCHEMBL20475168 0.85 NMT2 (0.42) PDE4BALDH1A1NMT2NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3582779-B1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2024-04-17 EP disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2023-07-18 US disclosed
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC 2021-03-04 US disclosed
WO-2018152293-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. (US) 2018-08-23 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-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 PDE4B 376/4885STS 4584/4885MMP1 4651/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PDE4B 340/4885STS 4582/4885MMP1 4407/4885
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PDE4B 340/4885STS 4582/4885MMP1 4407/4885

“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.