SCHEMBL6312273

SCHEMBL6312273

O=C(NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
GAA P10253 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPRB P23467 1/20 0.36
PTPN6 P29350 1/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
MEN1 O00255 1/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6318265 0.86 KMT2A (0.41) KMT2AMAPTRAB9AMEN1ALDH1A1
SCHEMBL6318762 0.86 HSD17B10 (0.45) PTPN2PTPRBPTPN6NPC1MAPT
SCHEMBL6318638 0.85 MAPT (0.50) GAAPTPN2PTPRBPTPN6KMT2A
SCHEMBL6318548 0.85 FAAH (0.41) FAAHGAACYP2C19PTPN2PTPRB
SCHEMBL6312106 0.83 MEN1 (0.49) KMT2ANPC1MAPTRAB9AMEN1
SCHEMBL6310728 0.82 MAPT (0.43) AKR1C3AKR1C2PTPN2PTPRBPTPN6
SCHEMBL7686880 0.79 KMT2A (0.41) KMT2AMAPTRAB9AMEN1SMN1; SMN2
SCHEMBL6318495 0.78 ALDH1A1 (0.44) GAACYP2C9PTPN2PTPRBPTPN6
SCHEMBL6317616 0.77 MEN1 (0.53) GAAKMT2ANPC1MAPTRAB9A
SCHEMBL6319363 0.73 KMT2A (0.43) GAAAKR1C3AKR1C2KMT2ANPC1

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 MGLL 1160/4885FAAH 1555/4885TRPV1 3262/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA MGLL 1119/4885FAAH 1527/4885TRPV1 3255/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 MGLL 1474/4885FAAH 1617/4885TRPV1 2832/4885

“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.