SCHEMBL5653976

SCHEMBL5653976

[C-]#[N+]C(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.41
TP53 P04637 2/20 0.40
PTGS1 P23219 6/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
AGTR1 P30556 1/20 0.37
SOS1 Q07889 2/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL30716683 1.00 PTGS2 (0.41) PTGS2TP53PTGS1MEN1NPC1
SCHEMBL29955568 0.87 PTGS2 (0.41) PTGS2TP53PTGS1MEN1LMNA
SCHEMBL5852069 0.87 PTGS2 (0.41) PTGS2TP53PTGS1MEN1LMNA
SCHEMBL9986171 0.87 MAPT (0.39) PTGS2MEN1LMNAKMT2A
SCHEMBL29956135 0.83 UTS2R (0.43) TP53MEN1LMNAHTTKMT2A
SCHEMBL29954990 0.83 GAA (0.38) LMNASMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL29847479 0.82 MAPT (0.46) PTGS2TP53PTGS1MEN1LMNA
SCHEMBL29569001 0.81 PTGS2 (0.40) PTGS2TP53PTGS1MEN1LMNA
SCHEMBL29956006 0.81 GAA (0.45) NPC1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL5851624 0.81 MAPT (0.44) TP53MEN1NPC1LMNARAB9A

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-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
US-20050159444-A1 Bicyclic unsaturated tertiary amine compounds SANKYO COMPANY, LIMITED (JP) 2005-07-21 US disclosed
EP-1541571-A1 BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2005-06-15 EP 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-20050159444-A1 Bicyclic unsaturated tertiary amine compounds IL1B, IL1A, STAT6 PTGS2 142/4885TP53 3491/4885PTGS1 56/4885
US-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 PTGS2 842/4885TP53 387/4885PTGS1 280/4885

“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.