SCHEMBL4276458

SCHEMBL4276458

O=C(O)CN1CCSC1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 4/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 2/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
INMT O95050 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ACE P12821 2/20 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
SCHEMBL4278206 0.81 CYP1A2 (0.50) KMT2AMEN1GSK3AGSK3BMAPT
SCHEMBL6995492 0.74 ACE (0.39) KMT2AMEN1GSK3AGSK3BMAPT
SCHEMBL13478268 0.73 MAPT (0.33) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL11557468 0.73 ALDH1A1 (0.33) KMT2AMEN1GSK3AGSK3BMAPT
SCHEMBL8338717 0.69
SCHEMBL9295951 0.68 MEN1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL30808595 0.68 MAPT (0.65) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL826060 0.68
SCHEMBL11208423 0.68 MAPT (0.35) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL11204838 0.65 MAPT (0.33) KMT2AMAPTALDH1A1CYP1A2CYP2C19

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-10251392-B2 Antimicrobial devices and compositions AVENT, INC. (US) 2019-04-09 US disclosed
US-20090035342-A1 Antimicrobial Devices and Compositions AVANOS MEDICAL SALES, LLC 2009-02-05 US disclosed
EP-1781098-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2007-05-09 EP disclosed
WO-2006015317-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2006-02-09 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-10251392-B2 Antimicrobial devices and compositions AAAS, AOC1, COL14A1 KMT2A 4253/4885MEN1 4622/4885GSK3A 3929/4885
US-20090035342-A1 Antimicrobial Devices and Compositions AAAS, AOC1, COL14A1 KMT2A 4253/4885MEN1 4622/4885GSK3A 3929/4885

“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.