SCHEMBL5584310

SCHEMBL5584310

CCCCCCCCCCCCCCCCCCCCCCN1C(=O)N(Cl)C(C)(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
MGLL Q99685 3/20 0.46
FAAH O00519 2/20 0.46
CNR1 P21554 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GBA1 P04062 1/20 0.37
CNR2 P34972 3/20 0.36
CES1 P23141 2/20 0.36
CDC25A P30304 1/20 0.36
CYP19A1 P11511 3/20 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
SCHEMBL5584067 1.00 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL5584605 1.00 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL20462217 0.90 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL8282748 0.82 SMN1; SMN2 (0.38) NR1H2NR1H3
SCHEMBL11272468 0.82 MGLL (0.47) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL8282733 0.80 SMN1; SMN2 (0.36) NR1H2NR1H3
SCHEMBL16677017 0.80 RAB9A (0.34) NR1H2NR1H3
SCHEMBL16674714 0.78 MEN1 (0.44)
SCHEMBL5586971 0.77 ELANE (0.44) MGLL
SCHEMBL7968322 0.76 PLA2G7 (0.47) PTGS1PTGS2MGLLFAAHCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055414-A1 N-HALAMINES COMPOUNDS AS MULTIFUNCTIONAL ADDITIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-02-21 US claimed
US-10138379-B2 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-27 US claimed
US-20150166796-A1 N-Halamines Compounds as Multifunctional Additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-06-18 US claimed
US-20070062884-A1 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-22 US claimed

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-20150166796-A1 N-Halamines Compounds as Multifunctional Additives NIT2, AAAS, NACA PTGS1 3492/4885PTGS2 3713/4885MGLL 998/4885
US-10138379-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA PTGS1 3492/4885PTGS2 3713/4885MGLL 998/4885

“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.