SCHEMBL5794533

SCHEMBL5794533

CCOc1ccc(C(=O)NCC2NCCc3c2sc(NC2CCCCO2)c3C(=O)O)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.40
HPGD P15428 8/20 0.36
ALDH1A1 P00352 8/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 4/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL7536570 0.81 ALDH1A1 (0.36) HPGDALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL5810842 0.79 RAB9A (0.51) PTPN1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL5810837 0.79 RAB9A (0.51) PTPN1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL7096351 0.79 KDM4E (0.43) PTPN1HPGDALDH1A1KDM4EGAA
SCHEMBL5797661 0.79 PTPN1 (0.45) PTPN1RAB9AOPRM1
SCHEMBL5797581 0.78 PTPN1 (0.60) PTPN1HPGDKDM4EHSD17B10RAB9A
SCHEMBL7096724 0.77 PTPN1 (0.58) PTPN1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL7096725 0.77 PTPN1 (0.58) PTPN1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL7537220 0.72 PTPN1 (0.37) PTPN1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL7095258 0.71 POLB (0.45) PTPN1HPGDALDH1A1SMN1; SMN2GAA

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
EP-1301516-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK AS (DK) 2006-03-22 EP disclosed
US-6613903-B2 Such as 7-(benzoylamino-methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno(2,3 -c)pyridine-3-carboxylic acid for treatment of diabetes, insulin resistance, and obesity NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1301516-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed
US-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-10-17 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 (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-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) PTPRO, PTPN1, PTPRS PTPN1 2/4885HPGD 3222/4885ALDH1A1 1724/4885

“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.