SCHEMBL6310728

SCHEMBL6310728

O=C(NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.35
BCHE P06276 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL6318762 0.82 HSD17B10 (0.45) MAPTALDH1A1HTTKDM4EPTPN2
SCHEMBL6312273 0.82 MGLL (0.46) MAPTMEN1KMT2AALDH1A1AKR1C3
SCHEMBL6318548 0.77 FAAH (0.41) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6318719 0.77 CA12 (0.38) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6318265 0.77 KMT2A (0.41) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6320149 0.76 SMN1; SMN2 (0.43) MAPTALDH1A1HTTLMNAPTPN2
SCHEMBL6318495 0.76 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6313183 0.75 MGLL (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6312106 0.73 MEN1 (0.49) MAPTMEN1KMT2APOLBHTT
SCHEMBL28570074 0.73 POLB (0.57) MEN1KMT2APOLBKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 540/4885MEN1 3299/4885KMT2A 3317/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA MAPT 475/4885MEN1 3307/4885KMT2A 3329/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 MAPT 626/4885MEN1 4004/4885KMT2A 3051/4885

“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.