SCHEMBL6314943

SCHEMBL6314943

COc1cccc(C(=O)NCC2Cc3c(sc(NC(=O)C(=O)O)c3C(=O)O)CO2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
NOD1 Q9Y239 2/20 0.56
HPGD P15428 4/20 0.52
RAB7A P51149 3/20 0.51
PTPN1 P18031 2/20 0.49
FLT3 P36888 1/20 0.47
THRB P10828 2/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLO1 Q04760 1/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL6205718 0.91 KMT2A (0.49) KMT2AMEN1NOD1HPGDRAB7A
SCHEMBL6206528 0.88 RAB7A (0.55) KMT2AMEN1NOD1HPGDRAB7A
SCHEMBL6321243 0.87 ALDH1A1 (0.53) KMT2AMEN1NOD1HPGDRAB7A
SCHEMBL6315632 0.85 RAB7A (0.47) KMT2AMEN1HPGDRAB7APTPN1
SCHEMBL6316963 0.85 PTPN1 (0.47) KMT2AMEN1HPGDRAB7APTPN1
SCHEMBL6317331 0.83 SMN1; SMN2 (0.45) KMT2AMEN1HPGDRAB7APTPN1
SCHEMBL6315979 0.83 MEN1 (0.54) KMT2AMEN1RAB7APTPN1FLT3
SCHEMBL6315812 0.82 PTPN1 (0.46) KMT2AMEN1HPGDRAB7APTPN1
SCHEMBL5838238 0.82 PTPN1 (0.40) KMT2AMEN1NOD1HPGDRAB7A
SCHEMBL6315022 0.82 RAB7A (0.51) KMT2AMEN1NOD1HPGDRAB7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US claimed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP claimed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 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 (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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA KMT2A 3329/4885MEN1 3307/4885NOD1 1330/4885

“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.