SCHEMBL16421337

SCHEMBL16421337

CNCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.73
▸ PRSS1 P07477 1/20 0.73
▸ PRSS2 P07478 1/20 0.73
▸ PRSS3 P35030 1/20 0.73
▸ TPSAB1 Q15661 1/20 0.73
▸ PKM P14618 3/20 0.66
▸ FOLH1 Q04609 4/20 0.64
▸ TDP1 Q9NUW8 5/20 0.61
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HSP90AB1 P08238 1/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56

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
SCHEMBL16602280 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24766873 0.99 F2 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16602282 0.96 F2 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24274183 0.96 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.95 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.95 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.95 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19017236 0.95 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL23126030 0.94 F2 (0.68) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12519525 0.93 F2 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323028-A1 ADHESIVE PHOTOPROTECTIVE COMPOUNDS AND USES THEREOF SKINOSIVE (FR) 2023-10-12 — — US disclosed
US-9422308-B2 Derivatives of docosahexaenoylethanolamide and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-23 — — US disclosed
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-01-29 — — US 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-20230323028-A1 ADHESIVE PHOTOPROTECTIVE COMPOUNDS AND USES THEREOF ICAM1, CDH1, VCAM1 F2 111/4885PRSS1 3525/4885PRSS2 3999/4885
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF GAP43, DGAT2, DCX F2 4814/4885PRSS1 2917/4885PRSS2 3196/4885

“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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