SCHEMBL6405033

SCHEMBL6405033

OC[C@H](SCc1cnc2sccc2c1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.33
MPO P05164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL6400354 0.85 ABCB11 (0.34) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL6400707 0.81 DYRK3 (0.31) MAPTMPOMEN1KMT2A
SCHEMBL6983641 0.80 MEN1 (0.46) ALDH1A1MAPTPKMSMN1; SMN2MEN1
SCHEMBL6398808 0.78 PDE4D (0.39) MASP2ALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL6405742 0.72 KRAS (0.39) MASP2NPC1
SCHEMBL6400452 0.69 EPHX1 (0.35) MPO
SCHEMBL6400583 0.69 MASP2 (0.37) MASP2ALDH1A1MAPT
SCHEMBL10997002 0.68 CYP2C9 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6982024 0.68 FAAH (0.44) ALDH1A1NPC1MEN1KMT2A
SCHEMBL6403012 0.68 FAAH (0.44) ALDH1A1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1301509-A1 MULTIFUNCTIONAL COUPLING AGENTS WITH CYCLIC IMINOESTER AND IMINOETHER GROUPS, METHOD FOR PRODUCING THE SAME AND USE THEREOF Institut für Polymerforschung Dresden E.V. (DE) 2003-04-16 EP disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2002004441-A1 MULTIFUNCTIONAL COUPLING AGENTS WITH CYCLIC IMINOESTER AND IMINOETHER GROUPS, METHOD FOR PRODUCING THE SAME AND USE THEREOF INSTITUT FÜR POLYMERFORSCHUNG DRESDEN E.V. (DE) 2002-01-17 WO disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 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 (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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 MASP2 1503/4885ALDH1A1 945/4885MAPT 4864/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MASP2 1454/4885ALDH1A1 356/4885MAPT 4873/4885

“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.