SCHEMBL3335091

SCHEMBL3335091

O=C(O)CNC(=O)CCCCC(S)CCS.[Zn]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
FAAH O00519 5/20 0.51
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
GPR18 Q14330 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL2580508 0.98 PTPN1 (0.54) PTPN1FAAHMEN1KMT2AALDH1A1
SCHEMBL3283754 0.97 PTPN1 (0.53) PTPN1FAAHMEN1KMT2AALDH1A1
SCHEMBL2575373 0.84 FAAH (0.42) PTPN1FAAHGSTK1ENPEPHDAC3
SCHEMBL3337710 0.83 EPHX2 (0.47) PTPN1KDM4ELMNAGSTK1HDAC3
Zinc Ion SCHEMBL3335093 0.83 PTPN1 (0.38) PTPN1FAAHRECQLHDAC3HDAC4
SCHEMBL3283758 0.83 PTPN1 (0.38) PTPN1FAAHRECQLHDAC3HDAC4
SCHEMBL2582831 0.83 KDM4E (0.43) MEN1KMT2AMAPTKDM4ESLC6A5
SCHEMBL2576305 0.81 PTGS1 (0.46) PTPN1FAAHALDH1A1MAPTTDP1
SCHEMBL2581324 0.81 EPHX2 (0.48) KDM4ELMNAGSTK1ENPEPHDAC3
Zinc Ion SCHEMBL2575366 0.81 PTPN1 (0.37) PTPN1FAAHRECQLHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF SENJU PHARMACEUTICAL CO. LTD. (JP) 2010-06-17 US claimed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP claimed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 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 (1 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-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO PTPN1 1112/4885FAAH 1636/4885MEN1 1715/4885

“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.