SCHEMBL6317616

SCHEMBL6317616

O=C(NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.53
KMT2A Q03164 11/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 6/20 0.51
POLB P06746 4/20 0.51
HTT P42858 3/20 0.51
DDX3X O00571 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.44
PTPN1 P18031 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
BAZ1A Q9NRL2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6312106 0.89 MEN1 (0.49) MEN1KMT2AMAPTPOLBHTT
SCHEMBL6319180 0.85 RAB9A (0.45) MEN1KMT2AMAPTPOLBHTT
SCHEMBL6310332 0.83 GRIK1 (0.47) GAAMAPTTHRB
SCHEMBL6311622 0.82 HTT (0.52) MEN1KMT2AGAAMAPTHTT
SCHEMBL6311917 0.81 SMN1; SMN2 (0.53) MEN1KMT2AGAAMAPTHTT
SCHEMBL6319363 0.81 KMT2A (0.43) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL6313409 0.81 GRIK1 (0.51) MEN1KMT2AGAAMAPTHTT
SCHEMBL6312273 0.77 MGLL (0.46) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL6310340 0.76 LMNA (0.49) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL6318265 0.75 KMT2A (0.41) MEN1KMT2AMAPTPOLBHTT

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-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US claimed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US claimed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US claimed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US disclosed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046244-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 (3 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-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO MEN1 3299/4885KMT2A 3317/4885GAA 315/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA MEN1 3307/4885KMT2A 3329/4885GAA 282/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 MEN1 4004/4885KMT2A 3051/4885GAA 332/4885

“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.