SCHEMBL21726697

SCHEMBL21726697

CC(C)(C)[S@+]([O-])/N=C(\CCC1CC1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RBP4 P02753 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
NAMPT P43490 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
SCHEMBL20584606 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL20584607 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22982867 0.84 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23006349 0.81 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17064457 0.80 ACHE (0.37) KMT2ALMNAKDM4E
SCHEMBL18623191 0.80 ACHE (0.37) KMT2ALMNAKDM4E
SCHEMBL17064890 0.80 ACHE (0.37) KMT2ALMNAKDM4E
SCHEMBL17064520 0.78 MAPT (0.39) SMN1; SMN2NPC1KMT2ACHRNB2CHRNB4
SCHEMBL18604794 0.78 MAPT (0.39) SMN1; SMN2NPC1KMT2ACHRNB2CHRNB4
SCHEMBL18623202 0.78 MAPT (0.39) SMN1; SMN2NPC1KMT2ACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
EP-4019022-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2022-06-29 EP disclosed
US-11066360-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-07-20 US disclosed
US-20200361867-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2020-11-19 US disclosed
US-10562850-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-02-18 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 (4 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-11066360-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SMN1; SMN2 3221/4885NPC1 473/4885RAB9A 2232/4885
US-10562850-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SMN1; SMN2 3221/4885NPC1 473/4885RAB9A 2232/4885
US-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SMN1; SMN2 3221/4885NPC1 473/4885RAB9A 2232/4885
US-20200361867-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SMN1; SMN2 3221/4885NPC1 473/4885RAB9A 2232/4885

“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.